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/professor-b637b3a0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/professor-b637b3a0/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/professor-b637b3a0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/professor-b637b3a0/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/professor-b637b3a0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/professor-b637b3a0/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/professor-b637b3a0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/professor-b637b3a0/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/professor-b637b3a0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/professor-b637b3a0/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/professor-b637b3a0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/professor-b637b3a0/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/professor-b637b3a0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/professor-b637b3a0/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/professor-b637b3a0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/professor-b637b3a0/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/professor-b637b3a0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/professor-b637b3a0/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/professor-b637b3a0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/professor-b637b3a0/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: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -1181.269255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.269255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.581691 (E_RNA)
where:
Base-Base interactions energy: -791.069
where: short stacking energy: -356.076
Base-Backbone interact. energy: -1.226
local terms energy: -481.287300
where:
bonds (distance) C4'-P energy: -99.138
bonds (distance) P-C4' energy: -133.637
flat angles C4'-P-C4' energy: -114.515
flat angles P-C4'-P energy: -68.955
tors. eta vs tors. theta energy: -65.042
Dist. restrs. and SS energy: 92.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -1202.782980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.782980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.779323 (E_RNA)
where:
Base-Base interactions energy: -767.644
where: short stacking energy: -343.685
Base-Backbone interact. energy: -0.892
local terms energy: -500.242685
where:
bonds (distance) C4'-P energy: -128.164
bonds (distance) P-C4' energy: -122.491
flat angles C4'-P-C4' energy: -138.190
flat angles P-C4'-P energy: -62.931
tors. eta vs tors. theta energy: -48.467
Dist. restrs. and SS energy: 65.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: 6
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -1473.314498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.314498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.642033 (E_RNA)
where:
Base-Base interactions energy: -988.087
where: short stacking energy: -426.435
Base-Backbone interact. energy: -1.890
local terms energy: -552.664894
where:
bonds (distance) C4'-P energy: -136.419
bonds (distance) P-C4' energy: -141.413
flat angles C4'-P-C4' energy: -123.491
flat angles P-C4'-P energy: -71.595
tors. eta vs tors. theta energy: -79.746
Dist. restrs. and SS energy: 69.328 (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: 8
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -1370.018660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.018660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.352881 (E_RNA)
where:
Base-Base interactions energy: -926.610
where: short stacking energy: -378.718
Base-Backbone interact. energy: 5.247
local terms energy: -508.989913
where:
bonds (distance) C4'-P energy: -122.126
bonds (distance) P-C4' energy: -140.420
flat angles C4'-P-C4' energy: -119.655
flat angles P-C4'-P energy: -71.597
tors. eta vs tors. theta energy: -55.191
Dist. restrs. and SS energy: 60.334 (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: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -1245.556406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.556406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.417747 (E_RNA)
where:
Base-Base interactions energy: -811.140
where: short stacking energy: -342.244
Base-Backbone interact. energy: 3.059
local terms energy: -499.336521
where:
bonds (distance) C4'-P energy: -115.307
bonds (distance) P-C4' energy: -145.430
flat angles C4'-P-C4' energy: -119.580
flat angles P-C4'-P energy: -62.026
tors. eta vs tors. theta energy: -56.993
Dist. restrs. and SS energy: 61.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: 6
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -1648.924751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.924751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.244311 (E_RNA)
where:
Base-Base interactions energy: -1130.497
where: short stacking energy: -450.396
Base-Backbone interact. energy: -2.519
local terms energy: -545.228596
where:
bonds (distance) C4'-P energy: -134.126
bonds (distance) P-C4' energy: -111.432
flat angles C4'-P-C4' energy: -128.662
flat angles P-C4'-P energy: -75.873
tors. eta vs tors. theta energy: -95.136
Dist. restrs. and SS energy: 29.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -1430.541585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.541585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.625478 (E_RNA)
where:
Base-Base interactions energy: -978.703
where: short stacking energy: -405.866
Base-Backbone interact. energy: 5.934
local terms energy: -509.856577
where:
bonds (distance) C4'-P energy: -119.298
bonds (distance) P-C4' energy: -119.070
flat angles C4'-P-C4' energy: -131.601
flat angles P-C4'-P energy: -57.659
tors. eta vs tors. theta energy: -82.228
Dist. restrs. and SS energy: 52.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -1368.102003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.102003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.959063 (E_RNA)
where:
Base-Base interactions energy: -888.764
where: short stacking energy: -366.999
Base-Backbone interact. energy: -5.716
local terms energy: -513.479112
where:
bonds (distance) C4'-P energy: -128.259
bonds (distance) P-C4' energy: -111.520
flat angles C4'-P-C4' energy: -130.529
flat angles P-C4'-P energy: -61.585
tors. eta vs tors. theta energy: -81.585
Dist. restrs. and SS energy: 39.857 (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: 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: 6
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -1689.646287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.646287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.255731 (E_RNA)
where:
Base-Base interactions energy: -1153.756
where: short stacking energy: -475.648
Base-Backbone interact. energy: 1.869
local terms energy: -563.368837
where:
bonds (distance) C4'-P energy: -134.748
bonds (distance) P-C4' energy: -127.974
flat angles C4'-P-C4' energy: -141.784
flat angles P-C4'-P energy: -60.538
tors. eta vs tors. theta energy: -98.325
Dist. restrs. and SS energy: 25.609 (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: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -1545.611842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.611842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.190726 (E_RNA)
where:
Base-Base interactions energy: -1055.961
where: short stacking energy: -456.433
Base-Backbone interact. energy: 3.586
local terms energy: -518.815645
where:
bonds (distance) C4'-P energy: -118.518
bonds (distance) P-C4' energy: -120.970
flat angles C4'-P-C4' energy: -111.341
flat angles P-C4'-P energy: -71.368
tors. eta vs tors. theta energy: -96.620
Dist. restrs. and SS energy: 25.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -1443.440451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.440451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.059605 (E_RNA)
where:
Base-Base interactions energy: -971.057
where: short stacking energy: -391.463
Base-Backbone interact. energy: 1.679
local terms energy: -512.681718
where:
bonds (distance) C4'-P energy: -93.953
bonds (distance) P-C4' energy: -128.013
flat angles C4'-P-C4' energy: -128.310
flat angles P-C4'-P energy: -83.802
tors. eta vs tors. theta energy: -78.604
Dist. restrs. and SS energy: 38.619 (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: 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: 6
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -1699.144961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.144961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.217654 (E_RNA)
where:
Base-Base interactions energy: -1126.646
where: short stacking energy: -452.181
Base-Backbone interact. energy: -2.295
local terms energy: -592.276296
where:
bonds (distance) C4'-P energy: -127.843
bonds (distance) P-C4' energy: -142.828
flat angles C4'-P-C4' energy: -155.550
flat angles P-C4'-P energy: -66.589
tors. eta vs tors. theta energy: -99.466
Dist. restrs. and SS energy: 22.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -1677.677511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.677511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.720346 (E_RNA)
where:
Base-Base interactions energy: -1120.374
where: short stacking energy: -485.218
Base-Backbone interact. energy: -2.203
local terms energy: -586.143538
where:
bonds (distance) C4'-P energy: -133.944
bonds (distance) P-C4' energy: -113.656
flat angles C4'-P-C4' energy: -154.211
flat angles P-C4'-P energy: -67.938
tors. eta vs tors. theta energy: -116.395
Dist. restrs. and SS energy: 31.043 (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: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -1520.648248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.648248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.597606 (E_RNA)
where:
Base-Base interactions energy: -1007.386
where: short stacking energy: -419.280
Base-Backbone interact. energy: -2.396
local terms energy: -533.815657
where:
bonds (distance) C4'-P energy: -120.454
bonds (distance) P-C4' energy: -125.549
flat angles C4'-P-C4' energy: -122.299
flat angles P-C4'-P energy: -85.484
tors. eta vs tors. theta energy: -80.030
Dist. restrs. and SS energy: 22.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 9
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -2039.404339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.404339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.183058 (E_RNA)
where:
Base-Base interactions energy: -1356.105
where: short stacking energy: -596.086
Base-Backbone interact. energy: -4.694
local terms energy: -688.384371
where:
bonds (distance) C4'-P energy: -154.509
bonds (distance) P-C4' energy: -155.021
flat angles C4'-P-C4' energy: -157.292
flat angles P-C4'-P energy: -89.610
tors. eta vs tors. theta energy: -131.952
Dist. restrs. and SS energy: 9.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -1903.086367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.086367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.506675 (E_RNA)
where:
Base-Base interactions energy: -1266.526
where: short stacking energy: -547.085
Base-Backbone interact. energy: -2.041
local terms energy: -680.939585
where:
bonds (distance) C4'-P energy: -134.461
bonds (distance) P-C4' energy: -148.260
flat angles C4'-P-C4' energy: -142.154
flat angles P-C4'-P energy: -105.911
tors. eta vs tors. theta energy: -150.153
Dist. restrs. and SS energy: 46.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 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: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -1805.878483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.878483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.838028 (E_RNA)
where:
Base-Base interactions energy: -1223.635
where: short stacking energy: -540.147
Base-Backbone interact. energy: -4.018
local terms energy: -591.185141
where:
bonds (distance) C4'-P energy: -102.625
bonds (distance) P-C4' energy: -150.914
flat angles C4'-P-C4' energy: -132.614
flat angles P-C4'-P energy: -86.278
tors. eta vs tors. theta energy: -118.753
Dist. restrs. and SS energy: 12.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -1689.685653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.685653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.616757 (E_RNA)
where:
Base-Base interactions energy: -1146.005
where: short stacking energy: -481.594
Base-Backbone interact. energy: 2.078
local terms energy: -563.689775
where:
bonds (distance) C4'-P energy: -98.408
bonds (distance) P-C4' energy: -141.615
flat angles C4'-P-C4' energy: -141.070
flat angles P-C4'-P energy: -73.782
tors. eta vs tors. theta energy: -108.814
Dist. restrs. and SS energy: 17.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -1595.485176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.485176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.354391 (E_RNA)
where:
Base-Base interactions energy: -1093.904
where: short stacking energy: -457.997
Base-Backbone interact. energy: 4.636
local terms energy: -526.086806
where:
bonds (distance) C4'-P energy: -120.978
bonds (distance) P-C4' energy: -112.546
flat angles C4'-P-C4' energy: -126.750
flat angles P-C4'-P energy: -84.768
tors. eta vs tors. theta energy: -81.045
Dist. restrs. and SS energy: 19.869 (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: 4
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -2373.666555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.666555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.955761 (E_RNA)
where:
Base-Base interactions energy: -1569.245
where: short stacking energy: -698.534
Base-Backbone interact. energy: -1.806
local terms energy: -805.904539
where:
bonds (distance) C4'-P energy: -160.747
bonds (distance) P-C4' energy: -164.714
flat angles C4'-P-C4' energy: -177.435
flat angles P-C4'-P energy: -123.909
tors. eta vs tors. theta energy: -179.099
Dist. restrs. and SS energy: 3.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -2232.788427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.788427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.956094 (E_RNA)
where:
Base-Base interactions energy: -1484.432
where: short stacking energy: -685.615
Base-Backbone interact. energy: -1.573
local terms energy: -787.951827
where:
bonds (distance) C4'-P energy: -163.406
bonds (distance) P-C4' energy: -156.346
flat angles C4'-P-C4' energy: -170.451
flat angles P-C4'-P energy: -115.445
tors. eta vs tors. theta energy: -182.305
Dist. restrs. and SS energy: 41.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -2214.430032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.430032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.592866 (E_RNA)
where:
Base-Base interactions energy: -1483.683
where: short stacking energy: -650.754
Base-Backbone interact. energy: 0.049
local terms energy: -745.959093
where:
bonds (distance) C4'-P energy: -143.777
bonds (distance) P-C4' energy: -140.925
flat angles C4'-P-C4' energy: -170.609
flat angles P-C4'-P energy: -116.930
tors. eta vs tors. theta energy: -173.719
Dist. restrs. and SS energy: 15.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -2019.323939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.323939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.849314 (E_RNA)
where:
Base-Base interactions energy: -1333.818
where: short stacking energy: -568.277
Base-Backbone interact. energy: 0.765
local terms energy: -714.796356
where:
bonds (distance) C4'-P energy: -160.437
bonds (distance) P-C4' energy: -157.866
flat angles C4'-P-C4' energy: -165.547
flat angles P-C4'-P energy: -107.793
tors. eta vs tors. theta energy: -123.153
Dist. restrs. and SS energy: 28.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -2045.005261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.005261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.019630 (E_RNA)
where:
Base-Base interactions energy: -1335.882
where: short stacking energy: -555.176
Base-Backbone interact. energy: 3.753
local terms energy: -722.890620
where:
bonds (distance) C4'-P energy: -149.995
bonds (distance) P-C4' energy: -130.523
flat angles C4'-P-C4' energy: -169.906
flat angles P-C4'-P energy: -110.127
tors. eta vs tors. theta energy: -162.340
Dist. restrs. and SS energy: 10.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -1835.061184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.061184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.100147 (E_RNA)
where:
Base-Base interactions energy: -1232.477
where: short stacking energy: -527.667
Base-Backbone interact. energy: -1.940
local terms energy: -639.683131
where:
bonds (distance) C4'-P energy: -132.505
bonds (distance) P-C4' energy: -136.456
flat angles C4'-P-C4' energy: -146.974
flat angles P-C4'-P energy: -86.948
tors. eta vs tors. theta energy: -136.800
Dist. restrs. and SS energy: 39.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -1949.455799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.455799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.550350 (E_RNA)
where:
Base-Base interactions energy: -1283.568
where: short stacking energy: -550.934
Base-Backbone interact. energy: 0.308
local terms energy: -679.289865
where:
bonds (distance) C4'-P energy: -147.875
bonds (distance) P-C4' energy: -135.833
flat angles C4'-P-C4' energy: -142.175
flat angles P-C4'-P energy: -110.404
tors. eta vs tors. theta energy: -143.002
Dist. restrs. and SS energy: 13.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -1749.486486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.486486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.697595 (E_RNA)
where:
Base-Base interactions energy: -1193.750
where: short stacking energy: -500.443
Base-Backbone interact. energy: 0.253
local terms energy: -571.200127
where:
bonds (distance) C4'-P energy: -135.820
bonds (distance) P-C4' energy: -130.854
flat angles C4'-P-C4' energy: -129.172
flat angles P-C4'-P energy: -67.376
tors. eta vs tors. theta energy: -107.978
Dist. restrs. and SS energy: 15.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -1666.325298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.325298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.906561 (E_RNA)
where:
Base-Base interactions energy: -1121.597
where: short stacking energy: -475.956
Base-Backbone interact. energy: -0.890
local terms energy: -561.419461
where:
bonds (distance) C4'-P energy: -142.687
bonds (distance) P-C4' energy: -108.800
flat angles C4'-P-C4' energy: -128.630
flat angles P-C4'-P energy: -73.139
tors. eta vs tors. theta energy: -108.164
Dist. restrs. and SS energy: 17.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -2438.635699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.635699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.464860 (E_RNA)
where:
Base-Base interactions energy: -1620.834
where: short stacking energy: -705.477
Base-Backbone interact. energy: -2.202
local terms energy: -819.428806
where:
bonds (distance) C4'-P energy: -169.306
bonds (distance) P-C4' energy: -172.726
flat angles C4'-P-C4' energy: -169.351
flat angles P-C4'-P energy: -124.331
tors. eta vs tors. theta energy: -183.716
Dist. restrs. and SS energy: 3.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -2206.752253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.752253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.047922 (E_RNA)
where:
Base-Base interactions energy: -1474.113
where: short stacking energy: -678.764
Base-Backbone interact. energy: -1.592
local terms energy: -772.342627
where:
bonds (distance) C4'-P energy: -149.978
bonds (distance) P-C4' energy: -160.869
flat angles C4'-P-C4' energy: -181.318
flat angles P-C4'-P energy: -113.218
tors. eta vs tors. theta energy: -166.959
Dist. restrs. and SS energy: 41.296 (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: 9
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -2246.944142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.944142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.956804 (E_RNA)
where:
Base-Base interactions energy: -1488.162
where: short stacking energy: -674.872
Base-Backbone interact. energy: 2.402
local terms energy: -773.196086
where:
bonds (distance) C4'-P energy: -148.263
bonds (distance) P-C4' energy: -150.246
flat angles C4'-P-C4' energy: -175.375
flat angles P-C4'-P energy: -113.270
tors. eta vs tors. theta energy: -186.043
Dist. restrs. and SS energy: 12.013 (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: 7
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -2172.180056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.180056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.524941 (E_RNA)
where:
Base-Base interactions energy: -1470.637
where: short stacking energy: -619.482
Base-Backbone interact. energy: -0.670
local terms energy: -710.218046
where:
bonds (distance) C4'-P energy: -147.876
bonds (distance) P-C4' energy: -160.906
flat angles C4'-P-C4' energy: -151.370
flat angles P-C4'-P energy: -98.558
tors. eta vs tors. theta energy: -151.509
Dist. restrs. and SS energy: 9.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -1989.543464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.543464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.612530 (E_RNA)
where:
Base-Base interactions energy: -1349.005
where: short stacking energy: -564.330
Base-Backbone interact. energy: 0.817
local terms energy: -656.424690
where:
bonds (distance) C4'-P energy: -135.818
bonds (distance) P-C4' energy: -151.943
flat angles C4'-P-C4' energy: -132.383
flat angles P-C4'-P energy: -91.405
tors. eta vs tors. theta energy: -144.877
Dist. restrs. and SS energy: 15.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -2090.364984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.364984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.922703 (E_RNA)
where:
Base-Base interactions energy: -1414.742
where: short stacking energy: -594.739
Base-Backbone interact. energy: -0.833
local terms energy: -678.347427
where:
bonds (distance) C4'-P energy: -119.679
bonds (distance) P-C4' energy: -157.268
flat angles C4'-P-C4' energy: -158.815
flat angles P-C4'-P energy: -98.792
tors. eta vs tors. theta energy: -143.793
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: 7, replica: 5
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -1808.031171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.031171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.494054 (E_RNA)
where:
Base-Base interactions energy: -1184.044
where: short stacking energy: -492.229
Base-Backbone interact. energy: -0.477
local terms energy: -655.972767
where:
bonds (distance) C4'-P energy: -133.024
bonds (distance) P-C4' energy: -154.201
flat angles C4'-P-C4' energy: -152.300
flat angles P-C4'-P energy: -89.721
tors. eta vs tors. theta energy: -126.727
Dist. restrs. and SS energy: 32.463 (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: 11
Temperature: 1.250000
Total energy: -1876.390005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.390005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.741095 (E_RNA)
where:
Base-Base interactions energy: -1263.987
where: short stacking energy: -562.493
Base-Backbone interact. energy: -1.181
local terms energy: -624.572700
where:
bonds (distance) C4'-P energy: -130.015
bonds (distance) P-C4' energy: -123.466
flat angles C4'-P-C4' energy: -145.307
flat angles P-C4'-P energy: -82.170
tors. eta vs tors. theta energy: -143.614
Dist. restrs. and SS energy: 13.351 (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: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -1813.153018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.153018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.732622 (E_RNA)
where:
Base-Base interactions energy: -1245.675
where: short stacking energy: -518.038
Base-Backbone interact. energy: 2.924
local terms energy: -576.981922
where:
bonds (distance) C4'-P energy: -115.431
bonds (distance) P-C4' energy: -127.790
flat angles C4'-P-C4' energy: -133.778
flat angles P-C4'-P energy: -79.401
tors. eta vs tors. theta energy: -120.581
Dist. restrs. and SS energy: 6.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -1754.004395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.004395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.224335 (E_RNA)
where:
Base-Base interactions energy: -1189.348
where: short stacking energy: -509.736
Base-Backbone interact. energy: -2.767
local terms energy: -572.109390
where:
bonds (distance) C4'-P energy: -115.184
bonds (distance) P-C4' energy: -137.434
flat angles C4'-P-C4' energy: -130.858
flat angles P-C4'-P energy: -65.866
tors. eta vs tors. theta energy: -122.767
Dist. restrs. and SS energy: 10.220 (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: 4
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -2454.677176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.677176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.855706 (E_RNA)
where:
Base-Base interactions energy: -1609.014
where: short stacking energy: -730.193
Base-Backbone interact. energy: -0.611
local terms energy: -847.230474
where:
bonds (distance) C4'-P energy: -166.090
bonds (distance) P-C4' energy: -169.989
flat angles C4'-P-C4' energy: -179.481
flat angles P-C4'-P energy: -123.625
tors. eta vs tors. theta energy: -208.045
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: 2, replica: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -2197.585032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.585032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.414404 (E_RNA)
where:
Base-Base interactions energy: -1454.970
where: short stacking energy: -658.550
Base-Backbone interact. energy: -0.717
local terms energy: -786.727505
where:
bonds (distance) C4'-P energy: -168.240
bonds (distance) P-C4' energy: -152.262
flat angles C4'-P-C4' energy: -184.458
flat angles P-C4'-P energy: -100.139
tors. eta vs tors. theta energy: -181.629
Dist. restrs. and SS energy: 44.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -2239.109358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.109358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.195643 (E_RNA)
where:
Base-Base interactions energy: -1496.088
where: short stacking energy: -677.588
Base-Backbone interact. energy: 0.450
local terms energy: -762.558324
where:
bonds (distance) C4'-P energy: -164.664
bonds (distance) P-C4' energy: -145.039
flat angles C4'-P-C4' energy: -166.423
flat angles P-C4'-P energy: -106.801
tors. eta vs tors. theta energy: -179.631
Dist. restrs. and SS energy: 19.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -2187.901321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.901321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.321481 (E_RNA)
where:
Base-Base interactions energy: -1475.906
where: short stacking energy: -632.803
Base-Backbone interact. energy: -0.415
local terms energy: -716.000201
where:
bonds (distance) C4'-P energy: -151.417
bonds (distance) P-C4' energy: -155.781
flat angles C4'-P-C4' energy: -142.095
flat angles P-C4'-P energy: -92.973
tors. eta vs tors. theta energy: -173.735
Dist. restrs. and SS energy: 4.420 (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: 6
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -2120.608336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.608336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.424316 (E_RNA)
where:
Base-Base interactions energy: -1444.465
where: short stacking energy: -621.736
Base-Backbone interact. energy: -3.168
local terms energy: -677.791219
where:
bonds (distance) C4'-P energy: -131.432
bonds (distance) P-C4' energy: -147.856
flat angles C4'-P-C4' energy: -136.615
flat angles P-C4'-P energy: -96.939
tors. eta vs tors. theta energy: -164.949
Dist. restrs. and SS energy: 4.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -1997.538603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.538603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.347963 (E_RNA)
where:
Base-Base interactions energy: -1318.885
where: short stacking energy: -565.102
Base-Backbone interact. energy: 7.129
local terms energy: -704.591832
where:
bonds (distance) C4'-P energy: -160.126
bonds (distance) P-C4' energy: -162.260
flat angles C4'-P-C4' energy: -144.964
flat angles P-C4'-P energy: -102.093
tors. eta vs tors. theta energy: -135.149
Dist. restrs. and SS energy: 18.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -1894.682087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.682087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.522894 (E_RNA)
where:
Base-Base interactions energy: -1261.174
where: short stacking energy: -568.288
Base-Backbone interact. energy: 1.074
local terms energy: -656.422486
where:
bonds (distance) C4'-P energy: -154.368
bonds (distance) P-C4' energy: -127.248
flat angles C4'-P-C4' energy: -163.163
flat angles P-C4'-P energy: -77.566
tors. eta vs tors. theta energy: -134.077
Dist. restrs. and SS energy: 21.841 (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: 2
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -1815.613780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.613780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.605997 (E_RNA)
where:
Base-Base interactions energy: -1202.581
where: short stacking energy: -519.928
Base-Backbone interact. energy: 2.615
local terms energy: -628.639487
where:
bonds (distance) C4'-P energy: -145.506
bonds (distance) P-C4' energy: -145.738
flat angles C4'-P-C4' energy: -124.849
flat angles P-C4'-P energy: -88.872
tors. eta vs tors. theta energy: -123.674
Dist. restrs. and SS energy: 12.992 (S_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: 12
Temperature: 1.300000
Total energy: -1821.157616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.157616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.006854 (E_RNA)
where:
Base-Base interactions energy: -1244.092
where: short stacking energy: -501.993
Base-Backbone interact. energy: -0.925
local terms energy: -578.989853
where:
bonds (distance) C4'-P energy: -105.268
bonds (distance) P-C4' energy: -133.259
flat angles C4'-P-C4' energy: -130.003
flat angles P-C4'-P energy: -78.271
tors. eta vs tors. theta energy: -132.188
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: 10, replica: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -1818.713975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.713975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.404073 (E_RNA)
where:
Base-Base interactions energy: -1200.273
where: short stacking energy: -511.782
Base-Backbone interact. energy: 4.275
local terms energy: -627.405596
where:
bonds (distance) C4'-P energy: -131.015
bonds (distance) P-C4' energy: -149.387
flat angles C4'-P-C4' energy: -145.236
flat angles P-C4'-P energy: -60.458
tors. eta vs tors. theta energy: -141.310
Dist. restrs. and SS energy: 4.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -2495.831095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.831095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.928249 (E_RNA)
where:
Base-Base interactions energy: -1671.729
where: short stacking energy: -762.527
Base-Backbone interact. energy: -3.719
local terms energy: -821.480115
where:
bonds (distance) C4'-P energy: -161.701
bonds (distance) P-C4' energy: -156.580
flat angles C4'-P-C4' energy: -187.143
flat angles P-C4'-P energy: -117.194
tors. eta vs tors. theta energy: -198.862
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: 2, replica: 9
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -2389.414492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.414492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.296327 (E_RNA)
where:
Base-Base interactions energy: -1609.307
where: short stacking energy: -700.657
Base-Backbone interact. energy: -0.375
local terms energy: -789.614293
where:
bonds (distance) C4'-P energy: -170.489
bonds (distance) P-C4' energy: -155.024
flat angles C4'-P-C4' energy: -167.273
flat angles P-C4'-P energy: -124.687
tors. eta vs tors. theta energy: -172.142
Dist. restrs. and SS energy: 9.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -2140.965404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.965404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.261112 (E_RNA)
where:
Base-Base interactions energy: -1458.620
where: short stacking energy: -640.661
Base-Backbone interact. energy: -2.456
local terms energy: -709.185599
where:
bonds (distance) C4'-P energy: -150.657
bonds (distance) P-C4' energy: -139.917
flat angles C4'-P-C4' energy: -163.454
flat angles P-C4'-P energy: -87.093
tors. eta vs tors. theta energy: -168.064
Dist. restrs. and SS energy: 29.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -2227.530704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.530704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.295644 (E_RNA)
where:
Base-Base interactions energy: -1500.811
where: short stacking energy: -657.187
Base-Backbone interact. energy: -1.986
local terms energy: -729.498078
where:
bonds (distance) C4'-P energy: -131.994
bonds (distance) P-C4' energy: -156.531
flat angles C4'-P-C4' energy: -165.186
flat angles P-C4'-P energy: -102.927
tors. eta vs tors. theta energy: -172.859
Dist. restrs. and SS energy: 4.765 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -2128.219779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.219779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.772645 (E_RNA)
where:
Base-Base interactions energy: -1442.458
where: short stacking energy: -628.806
Base-Backbone interact. energy: -3.781
local terms energy: -686.533201
where:
bonds (distance) C4'-P energy: -125.668
bonds (distance) P-C4' energy: -121.937
flat angles C4'-P-C4' energy: -150.814
flat angles P-C4'-P energy: -109.208
tors. eta vs tors. theta energy: -178.906
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: 6, replica: 1
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -2009.956040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.956040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.044848 (E_RNA)
where:
Base-Base interactions energy: -1359.068
where: short stacking energy: -548.275
Base-Backbone interact. energy: -0.281
local terms energy: -662.696215
where:
bonds (distance) C4'-P energy: -150.814
bonds (distance) P-C4' energy: -148.151
flat angles C4'-P-C4' energy: -145.018
flat angles P-C4'-P energy: -99.087
tors. eta vs tors. theta energy: -119.626
Dist. restrs. and SS energy: 12.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -1938.619160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.619160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.889893 (E_RNA)
where:
Base-Base interactions energy: -1279.797
where: short stacking energy: -546.312
Base-Backbone interact. energy: -5.364
local terms energy: -670.729166
where:
bonds (distance) C4'-P energy: -144.730
bonds (distance) P-C4' energy: -136.917
flat angles C4'-P-C4' energy: -147.085
flat angles P-C4'-P energy: -94.011
tors. eta vs tors. theta energy: -147.986
Dist. restrs. and SS energy: 17.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -1900.774228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.774228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.021249 (E_RNA)
where:
Base-Base interactions energy: -1299.067
where: short stacking energy: -541.031
Base-Backbone interact. energy: 2.298
local terms energy: -611.252812
where:
bonds (distance) C4'-P energy: -120.092
bonds (distance) P-C4' energy: -152.872
flat angles C4'-P-C4' energy: -147.946
flat angles P-C4'-P energy: -70.154
tors. eta vs tors. theta energy: -120.190
Dist. restrs. and SS energy: 7.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -1770.360822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.360822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.581746 (E_RNA)
where:
Base-Base interactions energy: -1197.265
where: short stacking energy: -518.417
Base-Backbone interact. energy: -1.515
local terms energy: -579.801267
where:
bonds (distance) C4'-P energy: -120.070
bonds (distance) P-C4' energy: -118.289
flat angles C4'-P-C4' energy: -129.616
flat angles P-C4'-P energy: -82.344
tors. eta vs tors. theta energy: -129.482
Dist. restrs. and SS energy: 8.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -1818.151323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.151323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.336666 (E_RNA)
where:
Base-Base interactions energy: -1214.642
where: short stacking energy: -510.154
Base-Backbone interact. energy: -0.257
local terms energy: -611.437433
where:
bonds (distance) C4'-P energy: -119.046
bonds (distance) P-C4' energy: -143.393
flat angles C4'-P-C4' energy: -121.629
flat angles P-C4'-P energy: -100.354
tors. eta vs tors. theta energy: -127.016
Dist. restrs. and SS energy: 8.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -2539.426608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.426608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.113873 (E_RNA)
where:
Base-Base interactions energy: -1716.266
where: short stacking energy: -747.774
Base-Backbone interact. energy: -2.507
local terms energy: -822.340970
where:
bonds (distance) C4'-P energy: -150.471
bonds (distance) P-C4' energy: -169.400
flat angles C4'-P-C4' energy: -183.106
flat angles P-C4'-P energy: -105.635
tors. eta vs tors. theta energy: -213.730
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: 9
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -2364.243478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.243478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.249786 (E_RNA)
where:
Base-Base interactions energy: -1565.526
where: short stacking energy: -702.063
Base-Backbone interact. energy: -6.466
local terms energy: -803.257651
where:
bonds (distance) C4'-P energy: -141.551
bonds (distance) P-C4' energy: -175.040
flat angles C4'-P-C4' energy: -182.602
flat angles P-C4'-P energy: -126.504
tors. eta vs tors. theta energy: -177.560
Dist. restrs. and SS energy: 11.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -2170.758733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.758733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.399565 (E_RNA)
where:
Base-Base interactions energy: -1455.896
where: short stacking energy: -635.399
Base-Backbone interact. energy: -0.685
local terms energy: -737.818301
where:
bonds (distance) C4'-P energy: -156.089
bonds (distance) P-C4' energy: -146.064
flat angles C4'-P-C4' energy: -160.091
flat angles P-C4'-P energy: -109.129
tors. eta vs tors. theta energy: -166.445
Dist. restrs. and SS energy: 23.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -2263.629991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.629991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.006343 (E_RNA)
where:
Base-Base interactions energy: -1506.853
where: short stacking energy: -658.056
Base-Backbone interact. energy: -3.946
local terms energy: -757.207119
where:
bonds (distance) C4'-P energy: -144.091
bonds (distance) P-C4' energy: -146.364
flat angles C4'-P-C4' energy: -167.925
flat angles P-C4'-P energy: -114.634
tors. eta vs tors. theta energy: -184.193
Dist. restrs. and SS energy: 4.376 (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: 6
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -2100.923634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.923634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.711929 (E_RNA)
where:
Base-Base interactions energy: -1397.028
where: short stacking energy: -628.595
Base-Backbone interact. energy: -0.238
local terms energy: -709.446407
where:
bonds (distance) C4'-P energy: -148.594
bonds (distance) P-C4' energy: -154.496
flat angles C4'-P-C4' energy: -156.727
flat angles P-C4'-P energy: -96.606
tors. eta vs tors. theta energy: -153.023
Dist. restrs. and SS energy: 5.788 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -2055.078957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.078957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.641401 (E_RNA)
where:
Base-Base interactions energy: -1372.855
where: short stacking energy: -582.618
Base-Backbone interact. energy: -3.503
local terms energy: -689.282971
where:
bonds (distance) C4'-P energy: -133.243
bonds (distance) P-C4' energy: -131.745
flat angles C4'-P-C4' energy: -158.917
flat angles P-C4'-P energy: -114.206
tors. eta vs tors. theta energy: -151.171
Dist. restrs. and SS energy: 10.562 (S_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: 14
Temperature: 1.200000
Total energy: -1960.978542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.978542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.689026 (E_RNA)
where:
Base-Base interactions energy: -1321.605
where: short stacking energy: -565.853
Base-Backbone interact. energy: -2.707
local terms energy: -654.376574
where:
bonds (distance) C4'-P energy: -136.660
bonds (distance) P-C4' energy: -134.008
flat angles C4'-P-C4' energy: -161.746
flat angles P-C4'-P energy: -91.102
tors. eta vs tors. theta energy: -130.859
Dist. restrs. and SS energy: 17.710 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -1916.842419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.842419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.324154 (E_RNA)
where:
Base-Base interactions energy: -1316.815
where: short stacking energy: -577.155
Base-Backbone interact. energy: 3.682
local terms energy: -610.191332
where:
bonds (distance) C4'-P energy: -109.686
bonds (distance) P-C4' energy: -127.443
flat angles C4'-P-C4' energy: -143.261
flat angles P-C4'-P energy: -91.749
tors. eta vs tors. theta energy: -138.053
Dist. restrs. and SS energy: 6.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -1868.559843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.559843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.575310 (E_RNA)
where:
Base-Base interactions energy: -1219.443
where: short stacking energy: -517.753
Base-Backbone interact. energy: 2.808
local terms energy: -659.940103
where:
bonds (distance) C4'-P energy: -142.435
bonds (distance) P-C4' energy: -162.474
flat angles C4'-P-C4' energy: -139.434
flat angles P-C4'-P energy: -95.587
tors. eta vs tors. theta energy: -120.010
Dist. restrs. and SS energy: 8.015 (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: 2
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -1707.342044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.342044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.747018 (E_RNA)
where:
Base-Base interactions energy: -1161.129
where: short stacking energy: -480.228
Base-Backbone interact. energy: -2.987
local terms energy: -551.630648
where:
bonds (distance) C4'-P energy: -114.204
bonds (distance) P-C4' energy: -115.866
flat angles C4'-P-C4' energy: -137.264
flat angles P-C4'-P energy: -75.032
tors. eta vs tors. theta energy: -109.265
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: 1, replica: 4
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -2592.435550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.435550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.791833 (E_RNA)
where:
Base-Base interactions energy: -1729.813
where: short stacking energy: -757.805
Base-Backbone interact. energy: -3.109
local terms energy: -860.869866
where:
bonds (distance) C4'-P energy: -170.673
bonds (distance) P-C4' energy: -172.280
flat angles C4'-P-C4' energy: -175.545
flat angles P-C4'-P energy: -114.456
tors. eta vs tors. theta energy: -227.916
Dist. restrs. and SS energy: 1.356 (S_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: -2350.325234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.325234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.404237 (E_RNA)
where:
Base-Base interactions energy: -1585.683
where: short stacking energy: -682.813
Base-Backbone interact. energy: -1.583
local terms energy: -771.138009
where:
bonds (distance) C4'-P energy: -160.448
bonds (distance) P-C4' energy: -165.414
flat angles C4'-P-C4' energy: -171.452
flat angles P-C4'-P energy: -93.978
tors. eta vs tors. theta energy: -179.845
Dist. restrs. and SS energy: 8.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -2237.068292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.068292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.939027 (E_RNA)
where:
Base-Base interactions energy: -1464.498
where: short stacking energy: -688.155
Base-Backbone interact. energy: -3.794
local terms energy: -796.646942
where:
bonds (distance) C4'-P energy: -161.403
bonds (distance) P-C4' energy: -153.767
flat angles C4'-P-C4' energy: -176.535
flat angles P-C4'-P energy: -115.784
tors. eta vs tors. theta energy: -189.159
Dist. restrs. and SS energy: 27.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -2237.792223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.792223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.950758 (E_RNA)
where:
Base-Base interactions energy: -1509.252
where: short stacking energy: -681.010
Base-Backbone interact. energy: 0.287
local terms energy: -735.986222
where:
bonds (distance) C4'-P energy: -146.876
bonds (distance) P-C4' energy: -132.419
flat angles C4'-P-C4' energy: -166.250
flat angles P-C4'-P energy: -98.592
tors. eta vs tors. theta energy: -191.849
Dist. restrs. and SS energy: 7.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -2182.735024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.735024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.083796 (E_RNA)
where:
Base-Base interactions energy: -1469.180
where: short stacking energy: -636.356
Base-Backbone interact. energy: -2.321
local terms energy: -720.582642
where:
bonds (distance) C4'-P energy: -145.113
bonds (distance) P-C4' energy: -142.625
flat angles C4'-P-C4' energy: -159.181
flat angles P-C4'-P energy: -107.582
tors. eta vs tors. theta energy: -166.082
Dist. restrs. and SS energy: 9.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -2050.384395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.384395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.891309 (E_RNA)
where:
Base-Base interactions energy: -1371.424
where: short stacking energy: -590.865
Base-Backbone interact. energy: -3.068
local terms energy: -688.399525
where:
bonds (distance) C4'-P energy: -132.352
bonds (distance) P-C4' energy: -145.112
flat angles C4'-P-C4' energy: -160.185
flat angles P-C4'-P energy: -103.812
tors. eta vs tors. theta energy: -146.939
Dist. restrs. and SS energy: 12.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -2001.283508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.283508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.980060 (E_RNA)
where:
Base-Base interactions energy: -1340.820
where: short stacking energy: -577.825
Base-Backbone interact. energy: 0.315
local terms energy: -673.475846
where:
bonds (distance) C4'-P energy: -126.891
bonds (distance) P-C4' energy: -154.104
flat angles C4'-P-C4' energy: -152.750
flat angles P-C4'-P energy: -88.723
tors. eta vs tors. theta energy: -151.008
Dist. restrs. and SS energy: 12.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -1965.370708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.370708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.702741 (E_RNA)
where:
Base-Base interactions energy: -1331.099
where: short stacking energy: -539.240
Base-Backbone interact. energy: -0.964
local terms energy: -637.639448
where:
bonds (distance) C4'-P energy: -129.557
bonds (distance) P-C4' energy: -121.571
flat angles C4'-P-C4' energy: -157.186
flat angles P-C4'-P energy: -91.729
tors. eta vs tors. theta energy: -137.597
Dist. restrs. and SS energy: 4.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -1847.961018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.961018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.841262 (E_RNA)
where:
Base-Base interactions energy: -1248.858
where: short stacking energy: -551.835
Base-Backbone interact. energy: -3.086
local terms energy: -599.896438
where:
bonds (distance) C4'-P energy: -113.997
bonds (distance) P-C4' energy: -141.405
flat angles C4'-P-C4' energy: -145.514
flat angles P-C4'-P energy: -74.186
tors. eta vs tors. theta energy: -124.795
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: 10, replica: 2
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -1768.391022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.391022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.471716 (E_RNA)
where:
Base-Base interactions energy: -1239.533
where: short stacking energy: -520.055
Base-Backbone interact. energy: -2.701
local terms energy: -531.237985
where:
bonds (distance) C4'-P energy: -130.627
bonds (distance) P-C4' energy: -97.072
flat angles C4'-P-C4' energy: -124.834
flat angles P-C4'-P energy: -55.906
tors. eta vs tors. theta energy: -122.799
Dist. restrs. and SS energy: 5.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -2606.429904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.429904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.174712 (E_RNA)
where:
Base-Base interactions energy: -1764.592
where: short stacking energy: -780.599
Base-Backbone interact. energy: -4.128
local terms energy: -838.454570
where:
bonds (distance) C4'-P energy: -162.264
bonds (distance) P-C4' energy: -159.468
flat angles C4'-P-C4' energy: -177.100
flat angles P-C4'-P energy: -122.622
tors. eta vs tors. theta energy: -217.001
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: 2, replica: 9
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -2409.763269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.763269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.378803 (E_RNA)
where:
Base-Base interactions energy: -1607.508
where: short stacking energy: -705.355
Base-Backbone interact. energy: -2.277
local terms energy: -811.594369
where:
bonds (distance) C4'-P energy: -162.288
bonds (distance) P-C4' energy: -152.219
flat angles C4'-P-C4' energy: -183.750
flat angles P-C4'-P energy: -126.691
tors. eta vs tors. theta energy: -186.646
Dist. restrs. and SS energy: 11.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -2405.144254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.144254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.464624 (E_RNA)
where:
Base-Base interactions energy: -1613.821
where: short stacking energy: -706.169
Base-Backbone interact. energy: 0.340
local terms energy: -797.983531
where:
bonds (distance) C4'-P energy: -145.805
bonds (distance) P-C4' energy: -142.384
flat angles C4'-P-C4' energy: -180.586
flat angles P-C4'-P energy: -118.147
tors. eta vs tors. theta energy: -211.062
Dist. restrs. and SS energy: 6.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -2092.361140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.361140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.313032 (E_RNA)
where:
Base-Base interactions energy: -1414.189
where: short stacking energy: -669.118
Base-Backbone interact. energy: -1.700
local terms energy: -701.424649
where:
bonds (distance) C4'-P energy: -151.618
bonds (distance) P-C4' energy: -134.066
flat angles C4'-P-C4' energy: -170.174
flat angles P-C4'-P energy: -84.156
tors. eta vs tors. theta energy: -161.411
Dist. restrs. and SS energy: 24.952 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -2216.217129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.217129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.197782 (E_RNA)
where:
Base-Base interactions energy: -1500.312
where: short stacking energy: -626.272
Base-Backbone interact. energy: -1.133
local terms energy: -720.752436
where:
bonds (distance) C4'-P energy: -154.441
bonds (distance) P-C4' energy: -157.530
flat angles C4'-P-C4' energy: -157.289
flat angles P-C4'-P energy: -85.922
tors. eta vs tors. theta energy: -165.571
Dist. restrs. and SS energy: 5.981 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -2036.435565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.435565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.320346 (E_RNA)
where:
Base-Base interactions energy: -1359.287
where: short stacking energy: -570.099
Base-Backbone interact. energy: -2.619
local terms energy: -685.414089
where:
bonds (distance) C4'-P energy: -138.990
bonds (distance) P-C4' energy: -140.828
flat angles C4'-P-C4' energy: -154.784
flat angles P-C4'-P energy: -99.449
tors. eta vs tors. theta energy: -151.363
Dist. restrs. and SS energy: 10.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -2086.121234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.121234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.119717 (E_RNA)
where:
Base-Base interactions energy: -1398.533
where: short stacking energy: -628.128
Base-Backbone interact. energy: -1.077
local terms energy: -696.509657
where:
bonds (distance) C4'-P energy: -127.173
bonds (distance) P-C4' energy: -132.922
flat angles C4'-P-C4' energy: -155.147
flat angles P-C4'-P energy: -103.842
tors. eta vs tors. theta energy: -177.427
Dist. restrs. and SS energy: 9.998 (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: 5
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -1965.131559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.131559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.401653 (E_RNA)
where:
Base-Base interactions energy: -1291.106
where: short stacking energy: -560.320
Base-Backbone interact. energy: 0.397
local terms energy: -684.691903
where:
bonds (distance) C4'-P energy: -135.452
bonds (distance) P-C4' energy: -136.793
flat angles C4'-P-C4' energy: -164.437
flat angles P-C4'-P energy: -104.970
tors. eta vs tors. theta energy: -143.040
Dist. restrs. and SS energy: 10.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -1873.730060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.730060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.058741 (E_RNA)
where:
Base-Base interactions energy: -1245.750
where: short stacking energy: -541.605
Base-Backbone interact. energy: 0.007
local terms energy: -631.315290
where:
bonds (distance) C4'-P energy: -138.036
bonds (distance) P-C4' energy: -138.447
flat angles C4'-P-C4' energy: -123.968
flat angles P-C4'-P energy: -83.660
tors. eta vs tors. theta energy: -147.204
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: 8
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -1777.920001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.920001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.130199 (E_RNA)
where:
Base-Base interactions energy: -1237.639
where: short stacking energy: -502.160
Base-Backbone interact. energy: -1.511
local terms energy: -543.980461
where:
bonds (distance) C4'-P energy: -117.440
bonds (distance) P-C4' energy: -110.858
flat angles C4'-P-C4' energy: -123.532
flat angles P-C4'-P energy: -80.189
tors. eta vs tors. theta energy: -111.962
Dist. restrs. and SS energy: 5.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -2643.250106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.250106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.236923 (E_RNA)
where:
Base-Base interactions energy: -1789.580
where: short stacking energy: -793.421
Base-Backbone interact. energy: 0.845
local terms energy: -855.501305
where:
bonds (distance) C4'-P energy: -168.405
bonds (distance) P-C4' energy: -166.257
flat angles C4'-P-C4' energy: -177.692
flat angles P-C4'-P energy: -114.123
tors. eta vs tors. theta energy: -229.024
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: 9
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -2463.190178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.190178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.173278 (E_RNA)
where:
Base-Base interactions energy: -1668.330
where: short stacking energy: -725.105
Base-Backbone interact. energy: 2.106
local terms energy: -804.949233
where:
bonds (distance) C4'-P energy: -157.242
bonds (distance) P-C4' energy: -151.495
flat angles C4'-P-C4' energy: -174.162
flat angles P-C4'-P energy: -119.543
tors. eta vs tors. theta energy: -202.508
Dist. restrs. and SS energy: 7.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -2337.909155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.909155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.875038 (E_RNA)
where:
Base-Base interactions energy: -1539.815
where: short stacking energy: -688.375
Base-Backbone interact. energy: -4.378
local terms energy: -797.682090
where:
bonds (distance) C4'-P energy: -148.540
bonds (distance) P-C4' energy: -163.440
flat angles C4'-P-C4' energy: -174.021
flat angles P-C4'-P energy: -106.422
tors. eta vs tors. theta energy: -205.259
Dist. restrs. and SS energy: 3.966 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -2261.779093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.779093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.187835 (E_RNA)
where:
Base-Base interactions energy: -1491.474
where: short stacking energy: -652.693
Base-Backbone interact. energy: -4.604
local terms energy: -771.109377
where:
bonds (distance) C4'-P energy: -157.611
bonds (distance) P-C4' energy: -164.185
flat angles C4'-P-C4' energy: -163.818
flat angles P-C4'-P energy: -103.985
tors. eta vs tors. theta energy: -181.510
Dist. restrs. and SS energy: 5.409 (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: 3
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -2013.133129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.133129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.007293 (E_RNA)
where:
Base-Base interactions energy: -1343.687
where: short stacking energy: -603.574
Base-Backbone interact. energy: 1.915
local terms energy: -704.236114
where:
bonds (distance) C4'-P energy: -136.069
bonds (distance) P-C4' energy: -137.912
flat angles C4'-P-C4' energy: -170.162
flat angles P-C4'-P energy: -93.609
tors. eta vs tors. theta energy: -166.483
Dist. restrs. and SS energy: 32.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -2111.479120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.479120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.338381 (E_RNA)
where:
Base-Base interactions energy: -1406.132
where: short stacking energy: -595.893
Base-Backbone interact. energy: -3.729
local terms energy: -704.477263
where:
bonds (distance) C4'-P energy: -117.965
bonds (distance) P-C4' energy: -168.216
flat angles C4'-P-C4' energy: -165.045
flat angles P-C4'-P energy: -87.533
tors. eta vs tors. theta energy: -165.718
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: 7, replica: 1
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -1981.732730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.732730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.460948 (E_RNA)
where:
Base-Base interactions energy: -1338.227
where: short stacking energy: -566.457
Base-Backbone interact. energy: -2.662
local terms energy: -649.571784
where:
bonds (distance) C4'-P energy: -127.571
bonds (distance) P-C4' energy: -136.560
flat angles C4'-P-C4' energy: -144.508
flat angles P-C4'-P energy: -100.600
tors. eta vs tors. theta energy: -140.334
Dist. restrs. and SS energy: 8.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -1929.872640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.872640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.624835 (E_RNA)
where:
Base-Base interactions energy: -1284.772
where: short stacking energy: -522.682
Base-Backbone interact. energy: -1.859
local terms energy: -653.994470
where:
bonds (distance) C4'-P energy: -141.642
bonds (distance) P-C4' energy: -149.622
flat angles C4'-P-C4' energy: -146.645
flat angles P-C4'-P energy: -85.909
tors. eta vs tors. theta energy: -130.176
Dist. restrs. and SS energy: 10.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -1911.661402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.661402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.684815 (E_RNA)
where:
Base-Base interactions energy: -1290.280
where: short stacking energy: -576.264
Base-Backbone interact. energy: -3.712
local terms energy: -622.693005
where:
bonds (distance) C4'-P energy: -117.667
bonds (distance) P-C4' energy: -131.942
flat angles C4'-P-C4' energy: -132.102
flat angles P-C4'-P energy: -81.226
tors. eta vs tors. theta energy: -159.757
Dist. restrs. and SS energy: 5.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -1814.132754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.132754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.085458 (E_RNA)
where:
Base-Base interactions energy: -1203.568
where: short stacking energy: -525.058
Base-Backbone interact. energy: -0.718
local terms energy: -617.799260
where:
bonds (distance) C4'-P energy: -111.713
bonds (distance) P-C4' energy: -113.145
flat angles C4'-P-C4' energy: -163.563
flat angles P-C4'-P energy: -79.600
tors. eta vs tors. theta energy: -149.778
Dist. restrs. and SS energy: 7.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -2668.540414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.540414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.412053 (E_RNA)
where:
Base-Base interactions energy: -1828.003
where: short stacking energy: -803.116
Base-Backbone interact. energy: 0.382
local terms energy: -841.790854
where:
bonds (distance) C4'-P energy: -152.533
bonds (distance) P-C4' energy: -173.502
flat angles C4'-P-C4' energy: -173.881
flat angles P-C4'-P energy: -127.289
tors. eta vs tors. theta energy: -214.586
Dist. restrs. and SS energy: 0.872 (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: 9
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -2468.574367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.574367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.522417 (E_RNA)
where:
Base-Base interactions energy: -1676.309
where: short stacking energy: -699.704
Base-Backbone interact. energy: -5.010
local terms energy: -791.203363
where:
bonds (distance) C4'-P energy: -157.708
bonds (distance) P-C4' energy: -165.191
flat angles C4'-P-C4' energy: -167.312
flat angles P-C4'-P energy: -121.583
tors. eta vs tors. theta energy: -179.409
Dist. restrs. and SS energy: 3.948 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -2364.982479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.982479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.485602 (E_RNA)
where:
Base-Base interactions energy: -1596.341
where: short stacking energy: -733.727
Base-Backbone interact. energy: 0.042
local terms energy: -774.187478
where:
bonds (distance) C4'-P energy: -151.260
bonds (distance) P-C4' energy: -150.048
flat angles C4'-P-C4' energy: -152.243
flat angles P-C4'-P energy: -114.772
tors. eta vs tors. theta energy: -205.865
Dist. restrs. and SS energy: 5.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -2282.987725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.987725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.311699 (E_RNA)
where:
Base-Base interactions energy: -1535.206
where: short stacking energy: -654.512
Base-Backbone interact. energy: -4.034
local terms energy: -750.072123
where:
bonds (distance) C4'-P energy: -154.224
bonds (distance) P-C4' energy: -153.060
flat angles C4'-P-C4' energy: -152.556
flat angles P-C4'-P energy: -118.118
tors. eta vs tors. theta energy: -172.114
Dist. restrs. and SS energy: 6.324 (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: 10
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -2169.323610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.323610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.375100 (E_RNA)
where:
Base-Base interactions energy: -1445.488
where: short stacking energy: -645.649
Base-Backbone interact. energy: 4.167
local terms energy: -731.053550
where:
bonds (distance) C4'-P energy: -136.870
bonds (distance) P-C4' energy: -144.262
flat angles C4'-P-C4' energy: -174.228
flat angles P-C4'-P energy: -102.649
tors. eta vs tors. theta energy: -173.045
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: 3
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -1916.523704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.523704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.762471 (E_RNA)
where:
Base-Base interactions energy: -1273.447
where: short stacking energy: -583.206
Base-Backbone interact. energy: 5.076
local terms energy: -671.390699
where:
bonds (distance) C4'-P energy: -139.880
bonds (distance) P-C4' energy: -151.487
flat angles C4'-P-C4' energy: -157.565
flat angles P-C4'-P energy: -82.573
tors. eta vs tors. theta energy: -139.886
Dist. restrs. and SS energy: 23.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -2057.181167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.181167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.937458 (E_RNA)
where:
Base-Base interactions energy: -1381.047
where: short stacking energy: -577.167
Base-Backbone interact. energy: -5.269
local terms energy: -678.621838
where:
bonds (distance) C4'-P energy: -133.660
bonds (distance) P-C4' energy: -141.063
flat angles C4'-P-C4' energy: -156.169
flat angles P-C4'-P energy: -91.423
tors. eta vs tors. theta energy: -156.307
Dist. restrs. and SS energy: 7.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -1959.231360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.231360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.525480 (E_RNA)
where:
Base-Base interactions energy: -1328.578
where: short stacking energy: -579.170
Base-Backbone interact. energy: 5.800
local terms energy: -644.747280
where:
bonds (distance) C4'-P energy: -144.280
bonds (distance) P-C4' energy: -135.936
flat angles C4'-P-C4' energy: -133.164
flat angles P-C4'-P energy: -86.070
tors. eta vs tors. theta energy: -145.297
Dist. restrs. and SS energy: 8.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -1939.613299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.613299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.650333 (E_RNA)
where:
Base-Base interactions energy: -1318.717
where: short stacking energy: -555.683
Base-Backbone interact. energy: 2.632
local terms energy: -626.564883
where:
bonds (distance) C4'-P energy: -109.246
bonds (distance) P-C4' energy: -128.345
flat angles C4'-P-C4' energy: -149.256
flat angles P-C4'-P energy: -93.665
tors. eta vs tors. theta energy: -146.053
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: 10, replica: 8
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -1757.995228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.995228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.199175 (E_RNA)
where:
Base-Base interactions energy: -1218.310
where: short stacking energy: -513.694
Base-Backbone interact. energy: -1.395
local terms energy: -547.493861
where:
bonds (distance) C4'-P energy: -124.354
bonds (distance) P-C4' energy: -104.392
flat angles C4'-P-C4' energy: -126.257
flat angles P-C4'-P energy: -72.119
tors. eta vs tors. theta energy: -120.371
Dist. restrs. and SS energy: 9.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -2717.867080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.867080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.915524 (E_RNA)
where:
Base-Base interactions energy: -1865.083
where: short stacking energy: -826.842
Base-Backbone interact. energy: -1.966
local terms energy: -851.867084
where:
bonds (distance) C4'-P energy: -163.262
bonds (distance) P-C4' energy: -148.351
flat angles C4'-P-C4' energy: -183.739
flat angles P-C4'-P energy: -122.058
tors. eta vs tors. theta energy: -234.458
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: 9
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -2494.107655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.107655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.273029 (E_RNA)
where:
Base-Base interactions energy: -1730.520
where: short stacking energy: -694.909
Base-Backbone interact. energy: -3.251
local terms energy: -764.502569
where:
bonds (distance) C4'-P energy: -145.204
bonds (distance) P-C4' energy: -152.994
flat angles C4'-P-C4' energy: -165.608
flat angles P-C4'-P energy: -115.816
tors. eta vs tors. theta energy: -184.881
Dist. restrs. and SS energy: 4.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -2410.941101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.941101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.369311 (E_RNA)
where:
Base-Base interactions energy: -1608.781
where: short stacking energy: -704.619
Base-Backbone interact. energy: -0.505
local terms energy: -808.083456
where:
bonds (distance) C4'-P energy: -152.317
bonds (distance) P-C4' energy: -159.155
flat angles C4'-P-C4' energy: -175.494
flat angles P-C4'-P energy: -121.023
tors. eta vs tors. theta energy: -200.093
Dist. restrs. and SS energy: 6.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -2277.133582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.133582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.112197 (E_RNA)
where:
Base-Base interactions energy: -1512.596
where: short stacking energy: -666.313
Base-Backbone interact. energy: -0.449
local terms energy: -768.067023
where:
bonds (distance) C4'-P energy: -156.552
bonds (distance) P-C4' energy: -137.316
flat angles C4'-P-C4' energy: -179.874
flat angles P-C4'-P energy: -111.450
tors. eta vs tors. theta energy: -182.874
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: 5, replica: 10
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -2238.661468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.661468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.004512 (E_RNA)
where:
Base-Base interactions energy: -1492.178
where: short stacking energy: -674.053
Base-Backbone interact. energy: -1.423
local terms energy: -747.402664
where:
bonds (distance) C4'-P energy: -134.709
bonds (distance) P-C4' energy: -146.584
flat angles C4'-P-C4' energy: -170.009
flat angles P-C4'-P energy: -109.072
tors. eta vs tors. theta energy: -187.029
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: 6, replica: 5
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -2086.465801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.465801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.918850 (E_RNA)
where:
Base-Base interactions energy: -1379.388
where: short stacking energy: -607.653
Base-Backbone interact. energy: -2.219
local terms energy: -711.311569
where:
bonds (distance) C4'-P energy: -159.823
bonds (distance) P-C4' energy: -147.233
flat angles C4'-P-C4' energy: -135.169
flat angles P-C4'-P energy: -102.869
tors. eta vs tors. theta energy: -166.218
Dist. restrs. and SS energy: 6.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -1850.141252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.141252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.643319 (E_RNA)
where:
Base-Base interactions energy: -1193.853
where: short stacking energy: -552.784
Base-Backbone interact. energy: 5.214
local terms energy: -689.004413
where:
bonds (distance) C4'-P energy: -138.923
bonds (distance) P-C4' energy: -145.563
flat angles C4'-P-C4' energy: -135.213
flat angles P-C4'-P energy: -118.780
tors. eta vs tors. theta energy: -150.526
Dist. restrs. and SS energy: 27.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -1992.167261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.167261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.745785 (E_RNA)
where:
Base-Base interactions energy: -1337.670
where: short stacking energy: -570.927
Base-Backbone interact. energy: -1.187
local terms energy: -655.888509
where:
bonds (distance) C4'-P energy: -127.876
bonds (distance) P-C4' energy: -133.619
flat angles C4'-P-C4' energy: -150.544
flat angles P-C4'-P energy: -88.566
tors. eta vs tors. theta energy: -155.284
Dist. restrs. and SS energy: 2.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -1851.504163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.504163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.613076 (E_RNA)
where:
Base-Base interactions energy: -1280.699
where: short stacking energy: -544.485
Base-Backbone interact. energy: 1.304
local terms energy: -578.217849
where:
bonds (distance) C4'-P energy: -117.970
bonds (distance) P-C4' energy: -117.528
flat angles C4'-P-C4' energy: -122.340
flat angles P-C4'-P energy: -79.750
tors. eta vs tors. theta energy: -140.630
Dist. restrs. and SS energy: 6.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -1766.680707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.680707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.974675 (E_RNA)
where:
Base-Base interactions energy: -1183.399
where: short stacking energy: -505.343
Base-Backbone interact. energy: -2.302
local terms energy: -586.273707
where:
bonds (distance) C4'-P energy: -121.387
bonds (distance) P-C4' energy: -127.130
flat angles C4'-P-C4' energy: -138.650
flat angles P-C4'-P energy: -77.881
tors. eta vs tors. theta energy: -121.226
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: 1, replica: 4
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -2664.897391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.897391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.798234 (E_RNA)
where:
Base-Base interactions energy: -1806.853
where: short stacking energy: -812.597
Base-Backbone interact. energy: -0.399
local terms energy: -858.545812
where:
bonds (distance) C4'-P energy: -162.514
bonds (distance) P-C4' energy: -159.852
flat angles C4'-P-C4' energy: -182.852
flat angles P-C4'-P energy: -122.884
tors. eta vs tors. theta energy: -230.444
Dist. restrs. and SS energy: 0.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -2489.496121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.496121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.871818 (E_RNA)
where:
Base-Base interactions energy: -1744.501
where: short stacking energy: -716.366
Base-Backbone interact. energy: -1.748
local terms energy: -747.623272
where:
bonds (distance) C4'-P energy: -143.412
bonds (distance) P-C4' energy: -158.575
flat angles C4'-P-C4' energy: -156.209
flat angles P-C4'-P energy: -111.417
tors. eta vs tors. theta energy: -178.010
Dist. restrs. and SS energy: 4.376 (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: -2427.094158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.094158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.042363 (E_RNA)
where:
Base-Base interactions energy: -1638.997
where: short stacking energy: -704.489
Base-Backbone interact. energy: -3.834
local terms energy: -787.211117
where:
bonds (distance) C4'-P energy: -157.331
bonds (distance) P-C4' energy: -150.682
flat angles C4'-P-C4' energy: -166.438
flat angles P-C4'-P energy: -118.637
tors. eta vs tors. theta energy: -194.122
Dist. restrs. and SS energy: 2.948 (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: 20
Temperature: 1.050000
Total energy: -2329.674233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.674233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.392312 (E_RNA)
where:
Base-Base interactions energy: -1570.284
where: short stacking energy: -678.997
Base-Backbone interact. energy: 1.440
local terms energy: -762.548291
where:
bonds (distance) C4'-P energy: -142.901
bonds (distance) P-C4' energy: -153.721
flat angles C4'-P-C4' energy: -166.457
flat angles P-C4'-P energy: -115.000
tors. eta vs tors. theta energy: -184.469
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: 5, replica: 10
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -2206.034565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.034565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.444514 (E_RNA)
where:
Base-Base interactions energy: -1471.567
where: short stacking energy: -656.243
Base-Backbone interact. energy: -4.251
local terms energy: -731.626559
where:
bonds (distance) C4'-P energy: -134.432
bonds (distance) P-C4' energy: -151.905
flat angles C4'-P-C4' energy: -153.848
flat angles P-C4'-P energy: -109.462
tors. eta vs tors. theta energy: -181.980
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: 6, replica: 5
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -2106.000314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.000314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.909737 (E_RNA)
where:
Base-Base interactions energy: -1386.367
where: short stacking energy: -613.242
Base-Backbone interact. energy: -0.442
local terms energy: -726.100910
where:
bonds (distance) C4'-P energy: -136.499
bonds (distance) P-C4' energy: -150.824
flat angles C4'-P-C4' energy: -160.961
flat angles P-C4'-P energy: -106.120
tors. eta vs tors. theta energy: -171.697
Dist. restrs. and SS energy: 6.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -2074.559983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.559983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.790125 (E_RNA)
where:
Base-Base interactions energy: -1403.713
where: short stacking energy: -615.799
Base-Backbone interact. energy: 6.451
local terms energy: -679.528807
where:
bonds (distance) C4'-P energy: -135.895
bonds (distance) P-C4' energy: -128.136
flat angles C4'-P-C4' energy: -157.550
flat angles P-C4'-P energy: -93.546
tors. eta vs tors. theta energy: -164.402
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: 8, replica: 3
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -1784.906437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.906437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.134683 (E_RNA)
where:
Base-Base interactions energy: -1170.831
where: short stacking energy: -523.002
Base-Backbone interact. energy: 3.023
local terms energy: -642.326164
where:
bonds (distance) C4'-P energy: -118.555
bonds (distance) P-C4' energy: -147.550
flat angles C4'-P-C4' energy: -124.582
flat angles P-C4'-P energy: -104.165
tors. eta vs tors. theta energy: -147.475
Dist. restrs. and SS energy: 25.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -1821.038534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.038534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.015082 (E_RNA)
where:
Base-Base interactions energy: -1202.176
where: short stacking energy: -509.754
Base-Backbone interact. energy: 1.707
local terms energy: -635.546008
where:
bonds (distance) C4'-P energy: -135.710
bonds (distance) P-C4' energy: -158.570
flat angles C4'-P-C4' energy: -154.757
flat angles P-C4'-P energy: -82.081
tors. eta vs tors. theta energy: -104.427
Dist. restrs. and SS energy: 14.977 (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: 20
Temperature: 1.350000
Total energy: -1719.571076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.571076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.948824 (E_RNA)
where:
Base-Base interactions energy: -1182.282
where: short stacking energy: -475.331
Base-Backbone interact. energy: 0.160
local terms energy: -555.826104
where:
bonds (distance) C4'-P energy: -128.851
bonds (distance) P-C4' energy: -111.200
flat angles C4'-P-C4' energy: -133.033
flat angles P-C4'-P energy: -76.843
tors. eta vs tors. theta energy: -105.899
Dist. restrs. and SS energy: 18.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -2673.904559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.904559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.242888 (E_RNA)
where:
Base-Base interactions energy: -1794.826
where: short stacking energy: -784.625
Base-Backbone interact. energy: -3.840
local terms energy: -876.577866
where:
bonds (distance) C4'-P energy: -163.346
bonds (distance) P-C4' energy: -179.749
flat angles C4'-P-C4' energy: -204.080
flat angles P-C4'-P energy: -112.253
tors. eta vs tors. theta energy: -217.149
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: 2, replica: 7
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -2504.455664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.455664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.302405 (E_RNA)
where:
Base-Base interactions energy: -1668.904
where: short stacking energy: -747.457
Base-Backbone interact. energy: -0.033
local terms energy: -840.365382
where:
bonds (distance) C4'-P energy: -150.522
bonds (distance) P-C4' energy: -162.646
flat angles C4'-P-C4' energy: -179.204
flat angles P-C4'-P energy: -121.809
tors. eta vs tors. theta energy: -226.184
Dist. restrs. and SS energy: 4.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -2452.789381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.789381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.543042 (E_RNA)
where:
Base-Base interactions energy: -1681.893
where: short stacking energy: -714.645
Base-Backbone interact. energy: -0.584
local terms energy: -776.065514
where:
bonds (distance) C4'-P energy: -137.523
bonds (distance) P-C4' energy: -158.328
flat angles C4'-P-C4' energy: -172.529
flat angles P-C4'-P energy: -118.934
tors. eta vs tors. theta energy: -188.751
Dist. restrs. and SS energy: 5.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -2303.901616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.901616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.813217 (E_RNA)
where:
Base-Base interactions energy: -1538.403
where: short stacking energy: -672.724
Base-Backbone interact. energy: 4.754
local terms energy: -771.163262
where:
bonds (distance) C4'-P energy: -146.530
bonds (distance) P-C4' energy: -145.275
flat angles C4'-P-C4' energy: -172.822
flat angles P-C4'-P energy: -119.200
tors. eta vs tors. theta energy: -187.337
Dist. restrs. and SS energy: 0.912 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -2278.475097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.475097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.184446 (E_RNA)
where:
Base-Base interactions energy: -1540.264
where: short stacking energy: -695.494
Base-Backbone interact. energy: -1.820
local terms energy: -739.100662
where:
bonds (distance) C4'-P energy: -155.351
bonds (distance) P-C4' energy: -124.620
flat angles C4'-P-C4' energy: -163.167
flat angles P-C4'-P energy: -100.307
tors. eta vs tors. theta energy: -195.655
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: 2
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -2174.774987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.774987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.809302 (E_RNA)
where:
Base-Base interactions energy: -1466.568
where: short stacking energy: -659.873
Base-Backbone interact. energy: 3.042
local terms energy: -713.283764
where:
bonds (distance) C4'-P energy: -150.253
bonds (distance) P-C4' energy: -118.662
flat angles C4'-P-C4' energy: -177.513
flat angles P-C4'-P energy: -90.261
tors. eta vs tors. theta energy: -176.595
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: 5
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -1965.799924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.799924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.765621 (E_RNA)
where:
Base-Base interactions energy: -1329.543
where: short stacking energy: -532.389
Base-Backbone interact. energy: -1.425
local terms energy: -643.797601
where:
bonds (distance) C4'-P energy: -128.992
bonds (distance) P-C4' energy: -140.901
flat angles C4'-P-C4' energy: -135.105
flat angles P-C4'-P energy: -96.967
tors. eta vs tors. theta energy: -141.833
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: 1
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -2030.630745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.630745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.629588 (E_RNA)
where:
Base-Base interactions energy: -1375.604
where: short stacking energy: -587.337
Base-Backbone interact. energy: -4.053
local terms energy: -657.972441
where:
bonds (distance) C4'-P energy: -137.742
bonds (distance) P-C4' energy: -115.103
flat angles C4'-P-C4' energy: -145.441
flat angles P-C4'-P energy: -92.920
tors. eta vs tors. theta energy: -166.767
Dist. restrs. and SS energy: 6.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -1779.451056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.451056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.414838 (E_RNA)
where:
Base-Base interactions energy: -1200.283
where: short stacking energy: -510.819
Base-Backbone interact. energy: 1.110
local terms energy: -601.241636
where:
bonds (distance) C4'-P energy: -115.068
bonds (distance) P-C4' energy: -137.443
flat angles C4'-P-C4' energy: -137.579
flat angles P-C4'-P energy: -79.578
tors. eta vs tors. theta energy: -131.573
Dist. restrs. and SS energy: 20.964 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -1744.661403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.661403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.406313 (E_RNA)
where:
Base-Base interactions energy: -1187.761
where: short stacking energy: -494.441
Base-Backbone interact. energy: 3.317
local terms energy: -564.962905
where:
bonds (distance) C4'-P energy: -112.718
bonds (distance) P-C4' energy: -112.011
flat angles C4'-P-C4' energy: -147.122
flat angles P-C4'-P energy: -78.647
tors. eta vs tors. theta energy: -114.464
Dist. restrs. and SS energy: 4.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -2658.584443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.584443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.606196 (E_RNA)
where:
Base-Base interactions energy: -1820.744
where: short stacking energy: -795.140
Base-Backbone interact. energy: -3.082
local terms energy: -835.780109
where:
bonds (distance) C4'-P energy: -158.104
bonds (distance) P-C4' energy: -150.094
flat angles C4'-P-C4' energy: -181.187
flat angles P-C4'-P energy: -123.198
tors. eta vs tors. theta energy: -223.197
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: 2, replica: 7
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -2526.840495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.840495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.315537 (E_RNA)
where:
Base-Base interactions energy: -1719.052
where: short stacking energy: -744.273
Base-Backbone interact. energy: 2.299
local terms energy: -814.562730
where:
bonds (distance) C4'-P energy: -153.815
bonds (distance) P-C4' energy: -166.120
flat angles C4'-P-C4' energy: -176.715
flat angles P-C4'-P energy: -107.570
tors. eta vs tors. theta energy: -210.342
Dist. restrs. and SS energy: 4.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -2435.018103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.018103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.714326 (E_RNA)
where:
Base-Base interactions energy: -1663.790
where: short stacking energy: -706.487
Base-Backbone interact. energy: 3.920
local terms energy: -778.844734
where:
bonds (distance) C4'-P energy: -146.839
bonds (distance) P-C4' energy: -163.270
flat angles C4'-P-C4' energy: -176.594
flat angles P-C4'-P energy: -105.988
tors. eta vs tors. theta energy: -186.154
Dist. restrs. and SS energy: 3.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -2323.772311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.772311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.084685 (E_RNA)
where:
Base-Base interactions energy: -1532.320
where: short stacking energy: -692.066
Base-Backbone interact. energy: -3.009
local terms energy: -789.754952
where:
bonds (distance) C4'-P energy: -149.306
bonds (distance) P-C4' energy: -159.790
flat angles C4'-P-C4' energy: -175.740
flat angles P-C4'-P energy: -118.735
tors. eta vs tors. theta energy: -186.185
Dist. restrs. and SS energy: 1.312 (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: 2
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -2181.565982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.565982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.454916 (E_RNA)
where:
Base-Base interactions energy: -1433.608
where: short stacking energy: -642.979
Base-Backbone interact. energy: -1.601
local terms energy: -748.246610
where:
bonds (distance) C4'-P energy: -154.972
bonds (distance) P-C4' energy: -150.455
flat angles C4'-P-C4' energy: -155.595
flat angles P-C4'-P energy: -107.554
tors. eta vs tors. theta energy: -179.671
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: 6, replica: 6
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -2234.609037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.609037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.210237 (E_RNA)
where:
Base-Base interactions energy: -1508.528
where: short stacking energy: -663.808
Base-Backbone interact. energy: -3.374
local terms energy: -724.308548
where:
bonds (distance) C4'-P energy: -121.790
bonds (distance) P-C4' energy: -150.968
flat angles C4'-P-C4' energy: -148.655
flat angles P-C4'-P energy: -106.041
tors. eta vs tors. theta energy: -196.854
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: 7, replica: 5
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -1989.477860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.477860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.624803 (E_RNA)
where:
Base-Base interactions energy: -1362.390
where: short stacking energy: -564.135
Base-Backbone interact. energy: 2.366
local terms energy: -635.600628
where:
bonds (distance) C4'-P energy: -125.245
bonds (distance) P-C4' energy: -146.685
flat angles C4'-P-C4' energy: -150.189
flat angles P-C4'-P energy: -88.457
tors. eta vs tors. theta energy: -125.025
Dist. restrs. and SS energy: 6.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -1992.528667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.528667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.409344 (E_RNA)
where:
Base-Base interactions energy: -1359.332
where: short stacking energy: -576.262
Base-Backbone interact. energy: 1.444
local terms energy: -636.521266
where:
bonds (distance) C4'-P energy: -128.155
bonds (distance) P-C4' energy: -135.261
flat angles C4'-P-C4' energy: -140.642
flat angles P-C4'-P energy: -90.422
tors. eta vs tors. theta energy: -142.040
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: 8
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -1802.458244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.458244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.343501 (E_RNA)
where:
Base-Base interactions energy: -1199.621
where: short stacking energy: -512.152
Base-Backbone interact. energy: -1.967
local terms energy: -611.755571
where:
bonds (distance) C4'-P energy: -120.551
bonds (distance) P-C4' energy: -135.685
flat angles C4'-P-C4' energy: -148.900
flat angles P-C4'-P energy: -89.384
tors. eta vs tors. theta energy: -117.236
Dist. restrs. and SS energy: 10.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -1670.066033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.066033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.765747 (E_RNA)
where:
Base-Base interactions energy: -1131.574
where: short stacking energy: -489.032
Base-Backbone interact. energy: 1.744
local terms energy: -573.936195
where:
bonds (distance) C4'-P energy: -114.901
bonds (distance) P-C4' energy: -127.097
flat angles C4'-P-C4' energy: -128.026
flat angles P-C4'-P energy: -79.885
tors. eta vs tors. theta energy: -124.027
Dist. restrs. and SS energy: 33.700 (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: 4
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -2651.968972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.968972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.982769 (E_RNA)
where:
Base-Base interactions energy: -1787.070
where: short stacking energy: -788.615
Base-Backbone interact. energy: -5.580
local terms energy: -860.333460
where:
bonds (distance) C4'-P energy: -175.193
bonds (distance) P-C4' energy: -167.310
flat angles C4'-P-C4' energy: -169.282
flat angles P-C4'-P energy: -126.632
tors. eta vs tors. theta energy: -221.917
Dist. restrs. and SS energy: 1.014 (S_DIST_RNA)
chem. 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: -2576.329867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.329867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.733743 (E_RNA)
where:
Base-Base interactions energy: -1750.364
where: short stacking energy: -767.067
Base-Backbone interact. energy: -3.566
local terms energy: -826.803597
where:
bonds (distance) C4'-P energy: -135.760
bonds (distance) P-C4' energy: -181.388
flat angles C4'-P-C4' energy: -178.078
flat angles P-C4'-P energy: -116.956
tors. eta vs tors. theta energy: -214.622
Dist. restrs. and SS energy: 4.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -2464.756989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.756989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.397160 (E_RNA)
where:
Base-Base interactions energy: -1683.250
where: short stacking energy: -728.958
Base-Backbone interact. energy: 4.339
local terms energy: -792.485612
where:
bonds (distance) C4'-P energy: -153.388
bonds (distance) P-C4' energy: -151.800
flat angles C4'-P-C4' energy: -174.046
flat angles P-C4'-P energy: -117.054
tors. eta vs tors. theta energy: -196.197
Dist. restrs. and SS energy: 6.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -2339.233352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.233352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.303786 (E_RNA)
where:
Base-Base interactions energy: -1557.649
where: short stacking energy: -689.714
Base-Backbone interact. energy: 1.643
local terms energy: -785.297974
where:
bonds (distance) C4'-P energy: -150.442
bonds (distance) P-C4' energy: -166.225
flat angles C4'-P-C4' energy: -171.664
flat angles P-C4'-P energy: -108.085
tors. eta vs tors. theta energy: -188.882
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: 5, replica: 2
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -2293.495403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.495403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.657985 (E_RNA)
where:
Base-Base interactions energy: -1555.391
where: short stacking energy: -683.972
Base-Backbone interact. energy: -0.634
local terms energy: -738.632735
where:
bonds (distance) C4'-P energy: -132.750
bonds (distance) P-C4' energy: -140.540
flat angles C4'-P-C4' energy: -175.764
flat angles P-C4'-P energy: -99.776
tors. eta vs tors. theta energy: -189.802
Dist. restrs. and SS energy: 1.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -2199.949306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.949306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.692736 (E_RNA)
where:
Base-Base interactions energy: -1466.630
where: short stacking energy: -627.641
Base-Backbone interact. energy: -4.353
local terms energy: -732.709684
where:
bonds (distance) C4'-P energy: -127.395
bonds (distance) P-C4' energy: -154.261
flat angles C4'-P-C4' energy: -167.450
flat angles P-C4'-P energy: -106.344
tors. eta vs tors. theta energy: -177.260
Dist. restrs. and SS energy: 3.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -2025.213003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.213003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.933776 (E_RNA)
where:
Base-Base interactions energy: -1377.070
where: short stacking energy: -617.692
Base-Backbone interact. energy: 0.162
local terms energy: -657.025319
where:
bonds (distance) C4'-P energy: -125.829
bonds (distance) P-C4' energy: -118.526
flat angles C4'-P-C4' energy: -164.977
flat angles P-C4'-P energy: -93.458
tors. eta vs tors. theta energy: -154.236
Dist. restrs. and SS energy: 8.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -1940.414307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.414307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.584287 (E_RNA)
where:
Base-Base interactions energy: -1297.574
where: short stacking energy: -526.312
Base-Backbone interact. energy: -3.518
local terms energy: -642.491812
where:
bonds (distance) C4'-P energy: -145.536
bonds (distance) P-C4' energy: -125.387
flat angles C4'-P-C4' energy: -139.472
flat angles P-C4'-P energy: -92.948
tors. eta vs tors. theta energy: -139.149
Dist. restrs. and SS energy: 3.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -1944.803113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.803113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.737256 (E_RNA)
where:
Base-Base interactions energy: -1318.302
where: short stacking energy: -579.210
Base-Backbone interact. energy: -1.725
local terms energy: -627.709839
where:
bonds (distance) C4'-P energy: -124.997
bonds (distance) P-C4' energy: -128.424
flat angles C4'-P-C4' energy: -151.094
flat angles P-C4'-P energy: -84.415
tors. eta vs tors. theta energy: -138.780
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: 10, replica: 3
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -1697.911333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.911333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.416835 (E_RNA)
where:
Base-Base interactions energy: -1160.061
where: short stacking energy: -508.459
Base-Backbone interact. energy: -0.082
local terms energy: -576.273016
where:
bonds (distance) C4'-P energy: -130.290
bonds (distance) P-C4' energy: -121.592
flat angles C4'-P-C4' energy: -137.959
flat angles P-C4'-P energy: -78.506
tors. eta vs tors. theta energy: -107.926
Dist. restrs. and SS energy: 38.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -2653.740115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.740115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.169075 (E_RNA)
where:
Base-Base interactions energy: -1826.753
where: short stacking energy: -823.975
Base-Backbone interact. energy: 1.960
local terms energy: -830.376746
where:
bonds (distance) C4'-P energy: -152.843
bonds (distance) P-C4' energy: -152.159
flat angles C4'-P-C4' energy: -185.116
flat angles P-C4'-P energy: -111.015
tors. eta vs tors. theta energy: -229.243
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: 2, replica: 7
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -2568.166181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.166181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.667035 (E_RNA)
where:
Base-Base interactions energy: -1733.771
where: short stacking energy: -768.291
Base-Backbone interact. energy: 0.236
local terms energy: -838.131374
where:
bonds (distance) C4'-P energy: -147.288
bonds (distance) P-C4' energy: -167.244
flat angles C4'-P-C4' energy: -173.628
flat angles P-C4'-P energy: -124.532
tors. eta vs tors. theta energy: -225.439
Dist. restrs. and SS energy: 3.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -2457.368517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.368517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.595873 (E_RNA)
where:
Base-Base interactions energy: -1726.967
where: short stacking energy: -733.876
Base-Backbone interact. energy: 8.400
local terms energy: -745.029405
where:
bonds (distance) C4'-P energy: -151.432
bonds (distance) P-C4' energy: -144.664
flat angles C4'-P-C4' energy: -144.689
flat angles P-C4'-P energy: -115.165
tors. eta vs tors. theta energy: -189.079
Dist. restrs. and SS energy: 6.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -2347.515231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.515231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.502481 (E_RNA)
where:
Base-Base interactions energy: -1582.996
where: short stacking energy: -702.645
Base-Backbone interact. energy: 2.078
local terms energy: -768.584026
where:
bonds (distance) C4'-P energy: -137.257
bonds (distance) P-C4' energy: -160.906
flat angles C4'-P-C4' energy: -164.447
flat angles P-C4'-P energy: -99.306
tors. eta vs tors. theta energy: -206.667
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: 5, replica: 6
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -2313.219762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.219762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.324344 (E_RNA)
where:
Base-Base interactions energy: -1609.486
where: short stacking energy: -701.198
Base-Backbone interact. energy: 0.144
local terms energy: -706.981964
where:
bonds (distance) C4'-P energy: -119.149
bonds (distance) P-C4' energy: -136.833
flat angles C4'-P-C4' energy: -154.373
flat angles P-C4'-P energy: -102.347
tors. eta vs tors. theta energy: -194.280
Dist. restrs. and SS energy: 3.105 (S_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: -2182.107573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.107573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.357335 (E_RNA)
where:
Base-Base interactions energy: -1482.388
where: short stacking energy: -650.880
Base-Backbone interact. energy: 1.073
local terms energy: -703.042287
where:
bonds (distance) C4'-P energy: -135.576
bonds (distance) P-C4' energy: -147.380
flat angles C4'-P-C4' energy: -159.107
flat angles P-C4'-P energy: -92.452
tors. eta vs tors. theta energy: -168.528
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: 7, replica: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -2009.686714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.686714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.670947 (E_RNA)
where:
Base-Base interactions energy: -1333.901
where: short stacking energy: -546.750
Base-Backbone interact. energy: -1.078
local terms energy: -676.691314
where:
bonds (distance) C4'-P energy: -148.714
bonds (distance) P-C4' energy: -142.161
flat angles C4'-P-C4' energy: -154.624
flat angles P-C4'-P energy: -89.604
tors. eta vs tors. theta energy: -141.588
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: 8, replica: 5
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -1929.372975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.372975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.345006 (E_RNA)
where:
Base-Base interactions energy: -1302.892
where: short stacking energy: -529.902
Base-Backbone interact. energy: 2.568
local terms energy: -641.020369
where:
bonds (distance) C4'-P energy: -117.214
bonds (distance) P-C4' energy: -164.075
flat angles C4'-P-C4' energy: -142.463
flat angles P-C4'-P energy: -84.846
tors. eta vs tors. theta energy: -132.423
Dist. restrs. and SS energy: 11.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -1887.290110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.290110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.054765 (E_RNA)
where:
Base-Base interactions energy: -1281.504
where: short stacking energy: -530.851
Base-Backbone interact. energy: 2.060
local terms energy: -610.610231
where:
bonds (distance) C4'-P energy: -133.365
bonds (distance) P-C4' energy: -121.243
flat angles C4'-P-C4' energy: -139.145
flat angles P-C4'-P energy: -83.668
tors. eta vs tors. theta energy: -133.189
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: 10, replica: 3
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -1755.659872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.659872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.213060 (E_RNA)
where:
Base-Base interactions energy: -1206.570
where: short stacking energy: -506.228
Base-Backbone interact. energy: 0.935
local terms energy: -563.578240
where:
bonds (distance) C4'-P energy: -104.905
bonds (distance) P-C4' energy: -117.244
flat angles C4'-P-C4' energy: -149.624
flat angles P-C4'-P energy: -72.011
tors. eta vs tors. theta energy: -119.794
Dist. restrs. and SS energy: 13.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -2684.187128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.187128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.334851 (E_RNA)
where:
Base-Base interactions energy: -1812.012
where: short stacking energy: -798.051
Base-Backbone interact. energy: -1.965
local terms energy: -871.357739
where:
bonds (distance) C4'-P energy: -161.288
bonds (distance) P-C4' energy: -164.144
flat angles C4'-P-C4' energy: -178.200
flat angles P-C4'-P energy: -126.423
tors. eta vs tors. theta energy: -241.303
Dist. restrs. and SS energy: 1.148 (S_DIST_RNA)
chem. 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: -2548.578989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.578989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.681237 (E_RNA)
where:
Base-Base interactions energy: -1722.702
where: short stacking energy: -758.538
Base-Backbone interact. energy: -5.078
local terms energy: -825.900685
where:
bonds (distance) C4'-P energy: -154.922
bonds (distance) P-C4' energy: -160.696
flat angles C4'-P-C4' energy: -160.411
flat angles P-C4'-P energy: -125.374
tors. eta vs tors. theta energy: -224.497
Dist. restrs. and SS energy: 5.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -2432.745219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.745219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.688795 (E_RNA)
where:
Base-Base interactions energy: -1644.116
where: short stacking energy: -696.290
Base-Backbone interact. energy: -3.425
local terms energy: -788.147987
where:
bonds (distance) C4'-P energy: -145.685
bonds (distance) P-C4' energy: -170.896
flat angles C4'-P-C4' energy: -169.812
flat angles P-C4'-P energy: -112.965
tors. eta vs tors. theta energy: -188.790
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: 10
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -2339.996264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.996264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.587021 (E_RNA)
where:
Base-Base interactions energy: -1580.071
where: short stacking energy: -698.611
Base-Backbone interact. energy: 1.193
local terms energy: -763.709036
where:
bonds (distance) C4'-P energy: -135.848
bonds (distance) P-C4' energy: -150.609
flat angles C4'-P-C4' energy: -177.227
flat angles P-C4'-P energy: -97.263
tors. eta vs tors. theta energy: -202.763
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: 5, replica: 6
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -2278.232582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.232582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.006522 (E_RNA)
where:
Base-Base interactions energy: -1559.729
where: short stacking energy: -685.152
Base-Backbone interact. energy: -1.252
local terms energy: -719.024644
where:
bonds (distance) C4'-P energy: -127.784
bonds (distance) P-C4' energy: -123.633
flat angles C4'-P-C4' energy: -165.524
flat angles P-C4'-P energy: -102.363
tors. eta vs tors. theta energy: -199.721
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: 6, replica: 2
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -2189.396923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.396923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.994458 (E_RNA)
where:
Base-Base interactions energy: -1474.729
where: short stacking energy: -655.836
Base-Backbone interact. energy: -1.071
local terms energy: -716.194563
where:
bonds (distance) C4'-P energy: -135.105
bonds (distance) P-C4' energy: -153.717
flat angles C4'-P-C4' energy: -147.345
flat angles P-C4'-P energy: -97.212
tors. eta vs tors. theta energy: -182.816
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: 7, replica: 8
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -2042.449391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.449391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.813100 (E_RNA)
where:
Base-Base interactions energy: -1356.323
where: short stacking energy: -575.880
Base-Backbone interact. energy: 1.357
local terms energy: -688.846588
where:
bonds (distance) C4'-P energy: -136.139
bonds (distance) P-C4' energy: -158.008
flat angles C4'-P-C4' energy: -143.626
flat angles P-C4'-P energy: -105.261
tors. eta vs tors. theta energy: -145.812
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: 8, replica: 1
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -1946.284495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.284495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.326855 (E_RNA)
where:
Base-Base interactions energy: -1318.340
where: short stacking energy: -553.346
Base-Backbone interact. energy: -1.560
local terms energy: -629.426685
where:
bonds (distance) C4'-P energy: -127.937
bonds (distance) P-C4' energy: -162.714
flat angles C4'-P-C4' energy: -134.538
flat angles P-C4'-P energy: -87.301
tors. eta vs tors. theta energy: -116.937
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: 9, replica: 5
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -1881.118549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.118549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.352364 (E_RNA)
where:
Base-Base interactions energy: -1276.779
where: short stacking energy: -534.070
Base-Backbone interact. energy: -2.224
local terms energy: -618.349779
where:
bonds (distance) C4'-P energy: -129.685
bonds (distance) P-C4' energy: -130.805
flat angles C4'-P-C4' energy: -155.891
flat angles P-C4'-P energy: -87.933
tors. eta vs tors. theta energy: -114.035
Dist. restrs. and SS energy: 16.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -1765.493074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.493074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.227031 (E_RNA)
where:
Base-Base interactions energy: -1211.781
where: short stacking energy: -514.108
Base-Backbone interact. energy: -1.529
local terms energy: -567.916938
where:
bonds (distance) C4'-P energy: -107.590
bonds (distance) P-C4' energy: -150.516
flat angles C4'-P-C4' energy: -116.045
flat angles P-C4'-P energy: -83.960
tors. eta vs tors. theta energy: -109.806
Dist. restrs. and SS energy: 15.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -2684.781444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.781444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.051915 (E_RNA)
where:
Base-Base interactions energy: -1841.405
where: short stacking energy: -771.729
Base-Backbone interact. energy: -2.945
local terms energy: -841.702201
where:
bonds (distance) C4'-P energy: -172.826
bonds (distance) P-C4' energy: -167.182
flat angles C4'-P-C4' energy: -166.336
flat angles P-C4'-P energy: -113.678
tors. eta vs tors. theta energy: -221.680
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: 7
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -2551.695348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.695348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.668948 (E_RNA)
where:
Base-Base interactions energy: -1755.985
where: short stacking energy: -751.447
Base-Backbone interact. energy: 4.582
local terms energy: -805.265998
where:
bonds (distance) C4'-P energy: -160.454
bonds (distance) P-C4' energy: -144.900
flat angles C4'-P-C4' energy: -172.326
flat angles P-C4'-P energy: -113.730
tors. eta vs tors. theta energy: -213.857
Dist. restrs. and SS energy: 4.974 (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: 9
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -2450.916567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.916567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.184032 (E_RNA)
where:
Base-Base interactions energy: -1697.774
where: short stacking energy: -700.235
Base-Backbone interact. energy: -4.264
local terms energy: -753.145505
where:
bonds (distance) C4'-P energy: -127.063
bonds (distance) P-C4' energy: -142.696
flat angles C4'-P-C4' energy: -176.353
flat angles P-C4'-P energy: -109.014
tors. eta vs tors. theta energy: -198.019
Dist. restrs. and SS energy: 4.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -2318.246357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.246357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.384655 (E_RNA)
where:
Base-Base interactions energy: -1535.814
where: short stacking energy: -701.850
Base-Backbone interact. energy: -1.923
local terms energy: -782.647311
where:
bonds (distance) C4'-P energy: -144.015
bonds (distance) P-C4' energy: -156.067
flat angles C4'-P-C4' energy: -175.694
flat angles P-C4'-P energy: -110.942
tors. eta vs tors. theta energy: -195.929
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: 26
Temperature: 1.100000
Total energy: -2291.614410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.614410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.391594 (E_RNA)
where:
Base-Base interactions energy: -1565.330
where: short stacking energy: -682.327
Base-Backbone interact. energy: -1.264
local terms energy: -726.798023
where:
bonds (distance) C4'-P energy: -144.010
bonds (distance) P-C4' energy: -131.102
flat angles C4'-P-C4' energy: -151.028
flat angles P-C4'-P energy: -102.523
tors. eta vs tors. theta energy: -198.135
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: 2
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -2163.229153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.229153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.800204 (E_RNA)
where:
Base-Base interactions energy: -1459.076
where: short stacking energy: -620.772
Base-Backbone interact. energy: 0.282
local terms energy: -707.006431
where:
bonds (distance) C4'-P energy: -144.937
bonds (distance) P-C4' energy: -143.905
flat angles C4'-P-C4' energy: -159.213
flat angles P-C4'-P energy: -100.784
tors. eta vs tors. theta energy: -158.168
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: 7, replica: 8
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -2073.492009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.492009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.989351 (E_RNA)
where:
Base-Base interactions energy: -1394.748
where: short stacking energy: -596.877
Base-Backbone interact. energy: 0.806
local terms energy: -681.048106
where:
bonds (distance) C4'-P energy: -131.056
bonds (distance) P-C4' energy: -134.054
flat angles C4'-P-C4' energy: -151.405
flat angles P-C4'-P energy: -108.366
tors. eta vs tors. theta energy: -156.167
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: 8, replica: 1
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -2003.566723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.566723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.350425 (E_RNA)
where:
Base-Base interactions energy: -1339.289
where: short stacking energy: -579.176
Base-Backbone interact. energy: 0.459
local terms energy: -669.520763
where:
bonds (distance) C4'-P energy: -129.648
bonds (distance) P-C4' energy: -139.225
flat angles C4'-P-C4' energy: -152.784
flat angles P-C4'-P energy: -111.343
tors. eta vs tors. theta energy: -136.521
Dist. restrs. and SS energy: 4.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -1803.567088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.567088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.562508 (E_RNA)
where:
Base-Base interactions energy: -1232.246
where: short stacking energy: -515.121
Base-Backbone interact. energy: 6.681
local terms energy: -588.997917
where:
bonds (distance) C4'-P energy: -130.080
bonds (distance) P-C4' energy: -124.762
flat angles C4'-P-C4' energy: -113.411
flat angles P-C4'-P energy: -95.649
tors. eta vs tors. theta energy: -125.095
Dist. restrs. and SS energy: 10.995 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -1803.807768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.807768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.635063 (E_RNA)
where:
Base-Base interactions energy: -1247.566
where: short stacking energy: -527.709
Base-Backbone interact. energy: -1.250
local terms energy: -562.818470
where:
bonds (distance) C4'-P energy: -131.182
bonds (distance) P-C4' energy: -139.259
flat angles C4'-P-C4' energy: -112.791
flat angles P-C4'-P energy: -56.194
tors. eta vs tors. theta energy: -123.393
Dist. restrs. and SS energy: 7.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -2648.132829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.132829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.781060 (E_RNA)
where:
Base-Base interactions energy: -1820.456
where: short stacking energy: -805.466
Base-Backbone interact. energy: 4.605
local terms energy: -833.930399
where:
bonds (distance) C4'-P energy: -155.871
bonds (distance) P-C4' energy: -167.605
flat angles C4'-P-C4' energy: -179.586
flat angles P-C4'-P energy: -118.557
tors. eta vs tors. theta energy: -212.312
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: 7
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -2538.199863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.199863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.399758 (E_RNA)
where:
Base-Base interactions energy: -1722.103
where: short stacking energy: -739.159
Base-Backbone interact. energy: -4.383
local terms energy: -816.914115
where:
bonds (distance) C4'-P energy: -144.993
bonds (distance) P-C4' energy: -163.685
flat angles C4'-P-C4' energy: -174.056
flat angles P-C4'-P energy: -118.396
tors. eta vs tors. theta energy: -215.785
Dist. restrs. and SS energy: 5.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -2485.604821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.604821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.425837 (E_RNA)
where:
Base-Base interactions energy: -1708.455
where: short stacking energy: -703.622
Base-Backbone interact. energy: -0.633
local terms energy: -779.337867
where:
bonds (distance) C4'-P energy: -150.848
bonds (distance) P-C4' energy: -162.756
flat angles C4'-P-C4' energy: -162.118
flat angles P-C4'-P energy: -113.097
tors. eta vs tors. theta energy: -190.519
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: 4, replica: 6
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -2338.810959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.810959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.909151 (E_RNA)
where:
Base-Base interactions energy: -1565.020
where: short stacking energy: -666.635
Base-Backbone interact. energy: 4.285
local terms energy: -779.174377
where:
bonds (distance) C4'-P energy: -147.533
bonds (distance) P-C4' energy: -164.800
flat angles C4'-P-C4' energy: -169.604
flat angles P-C4'-P energy: -103.110
tors. eta vs tors. theta energy: -194.127
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: 5, replica: 10
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -2219.804475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.804475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.898010 (E_RNA)
where:
Base-Base interactions energy: -1511.647
where: short stacking energy: -680.116
Base-Backbone interact. energy: -4.790
local terms energy: -705.460740
where:
bonds (distance) C4'-P energy: -137.678
bonds (distance) P-C4' energy: -146.554
flat angles C4'-P-C4' energy: -153.423
flat angles P-C4'-P energy: -74.588
tors. eta vs tors. theta energy: -193.218
Dist. restrs. and SS energy: 2.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -2126.834413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.834413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.442383 (E_RNA)
where:
Base-Base interactions energy: -1434.302
where: short stacking energy: -635.458
Base-Backbone interact. energy: -0.517
local terms energy: -694.623246
where:
bonds (distance) C4'-P energy: -126.563
bonds (distance) P-C4' energy: -126.118
flat angles C4'-P-C4' energy: -148.409
flat angles P-C4'-P energy: -109.539
tors. eta vs tors. theta energy: -183.994
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: 27
Temperature: 1.200000
Total energy: -2035.853622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.853622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.755187 (E_RNA)
where:
Base-Base interactions energy: -1371.449
where: short stacking energy: -577.240
Base-Backbone interact. energy: -3.014
local terms energy: -665.292240
where:
bonds (distance) C4'-P energy: -128.328
bonds (distance) P-C4' energy: -142.178
flat angles C4'-P-C4' energy: -152.053
flat angles P-C4'-P energy: -90.167
tors. eta vs tors. theta energy: -152.567
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: 8, replica: 1
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -1964.321259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.321259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.979803 (E_RNA)
where:
Base-Base interactions energy: -1334.080
where: short stacking energy: -574.713
Base-Backbone interact. energy: -0.307
local terms energy: -634.593147
where:
bonds (distance) C4'-P energy: -130.091
bonds (distance) P-C4' energy: -135.465
flat angles C4'-P-C4' energy: -141.248
flat angles P-C4'-P energy: -89.712
tors. eta vs tors. theta energy: -138.077
Dist. restrs. and SS energy: 4.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -1842.524621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.524621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.621056 (E_RNA)
where:
Base-Base interactions energy: -1259.592
where: short stacking energy: -519.363
Base-Backbone interact. energy: -0.393
local terms energy: -589.636790
where:
bonds (distance) C4'-P energy: -129.205
bonds (distance) P-C4' energy: -128.479
flat angles C4'-P-C4' energy: -133.875
flat angles P-C4'-P energy: -71.394
tors. eta vs tors. theta energy: -126.684
Dist. restrs. and SS energy: 7.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -1767.900417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.900417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.431630 (E_RNA)
where:
Base-Base interactions energy: -1172.754
where: short stacking energy: -469.536
Base-Backbone interact. energy: -1.753
local terms energy: -596.924696
where:
bonds (distance) C4'-P energy: -117.173
bonds (distance) P-C4' energy: -138.266
flat angles C4'-P-C4' energy: -144.528
flat angles P-C4'-P energy: -81.732
tors. eta vs tors. theta energy: -115.226
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: 4
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -2674.068784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.068784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.284306 (E_RNA)
where:
Base-Base interactions energy: -1816.402
where: short stacking energy: -786.678
Base-Backbone interact. energy: -5.803
local terms energy: -854.079204
where:
bonds (distance) C4'-P energy: -145.645
bonds (distance) P-C4' energy: -158.179
flat angles C4'-P-C4' energy: -198.501
flat angles P-C4'-P energy: -121.231
tors. eta vs tors. theta energy: -230.524
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: 28
Temperature: 0.950000
Total energy: -2588.398027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.398027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.121192 (E_RNA)
where:
Base-Base interactions energy: -1767.211
where: short stacking energy: -742.102
Base-Backbone interact. energy: -1.920
local terms energy: -822.989939
where:
bonds (distance) C4'-P energy: -153.642
bonds (distance) P-C4' energy: -160.914
flat angles C4'-P-C4' energy: -174.074
flat angles P-C4'-P energy: -114.781
tors. eta vs tors. theta energy: -219.578
Dist. restrs. and SS energy: 3.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -2531.040286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.040286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.806928 (E_RNA)
where:
Base-Base interactions energy: -1754.891
where: short stacking energy: -737.660
Base-Backbone interact. energy: 3.516
local terms energy: -781.432686
where:
bonds (distance) C4'-P energy: -154.373
bonds (distance) P-C4' energy: -160.327
flat angles C4'-P-C4' energy: -165.338
flat angles P-C4'-P energy: -99.390
tors. eta vs tors. theta energy: -202.005
Dist. restrs. and SS energy: 1.767 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -2372.932803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.932803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.590722 (E_RNA)
where:
Base-Base interactions energy: -1610.470
where: short stacking energy: -712.273
Base-Backbone interact. energy: -1.173
local terms energy: -762.947555
where:
bonds (distance) C4'-P energy: -140.115
bonds (distance) P-C4' energy: -170.209
flat angles C4'-P-C4' energy: -145.659
flat angles P-C4'-P energy: -105.029
tors. eta vs tors. theta energy: -201.935
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: 5, replica: 10
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -2235.519699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.519699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.820605 (E_RNA)
where:
Base-Base interactions energy: -1496.953
where: short stacking energy: -656.503
Base-Backbone interact. energy: -2.879
local terms energy: -736.988599
where:
bonds (distance) C4'-P energy: -146.658
bonds (distance) P-C4' energy: -129.918
flat angles C4'-P-C4' energy: -169.672
flat angles P-C4'-P energy: -103.426
tors. eta vs tors. theta energy: -187.314
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: 6, replica: 2
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -2167.495065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.495065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.171445 (E_RNA)
where:
Base-Base interactions energy: -1463.065
where: short stacking energy: -649.553
Base-Backbone interact. energy: 0.623
local terms energy: -707.729005
where:
bonds (distance) C4'-P energy: -140.939
bonds (distance) P-C4' energy: -153.030
flat angles C4'-P-C4' energy: -160.704
flat angles P-C4'-P energy: -94.687
tors. eta vs tors. theta energy: -158.369
Dist. restrs. and SS energy: 2.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -2055.715842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.715842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.642653 (E_RNA)
where:
Base-Base interactions energy: -1355.555
where: short stacking energy: -587.965
Base-Backbone interact. energy: -1.767
local terms energy: -700.320889
where:
bonds (distance) C4'-P energy: -150.657
bonds (distance) P-C4' energy: -130.034
flat angles C4'-P-C4' energy: -164.001
flat angles P-C4'-P energy: -98.910
tors. eta vs tors. theta energy: -156.719
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: 8, replica: 1
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -1996.364130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.364130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.362639 (E_RNA)
where:
Base-Base interactions energy: -1349.012
where: short stacking energy: -545.320
Base-Backbone interact. energy: -0.341
local terms energy: -650.009496
where:
bonds (distance) C4'-P energy: -138.830
bonds (distance) P-C4' energy: -134.830
flat angles C4'-P-C4' energy: -155.210
flat angles P-C4'-P energy: -89.602
tors. eta vs tors. theta energy: -131.538
Dist. restrs. and SS energy: 2.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -1847.441448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.441448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.699361 (E_RNA)
where:
Base-Base interactions energy: -1261.543
where: short stacking energy: -515.162
Base-Backbone interact. energy: -0.061
local terms energy: -590.094989
where:
bonds (distance) C4'-P energy: -112.354
bonds (distance) P-C4' energy: -123.938
flat angles C4'-P-C4' energy: -154.565
flat angles P-C4'-P energy: -76.513
tors. eta vs tors. theta energy: -122.726
Dist. restrs. and SS energy: 4.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -1825.095481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.095481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.195958 (E_RNA)
where:
Base-Base interactions energy: -1251.463
where: short stacking energy: -524.857
Base-Backbone interact. energy: 2.726
local terms energy: -580.458001
where:
bonds (distance) C4'-P energy: -129.302
bonds (distance) P-C4' energy: -123.479
flat angles C4'-P-C4' energy: -122.462
flat angles P-C4'-P energy: -83.282
tors. eta vs tors. theta energy: -121.934
Dist. restrs. and SS energy: 4.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -2688.622207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.622207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.151779 (E_RNA)
where:
Base-Base interactions energy: -1810.221
where: short stacking energy: -787.692
Base-Backbone interact. energy: 4.225
local terms energy: -884.155891
where:
bonds (distance) C4'-P energy: -165.364
bonds (distance) P-C4' energy: -178.231
flat angles C4'-P-C4' energy: -182.080
flat angles P-C4'-P energy: -131.403
tors. eta vs tors. theta energy: -227.078
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: 2, replica: 7
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -2595.981933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.981933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.390848 (E_RNA)
where:
Base-Base interactions energy: -1774.092
where: short stacking energy: -764.901
Base-Backbone interact. energy: 1.978
local terms energy: -829.277015
where:
bonds (distance) C4'-P energy: -154.175
bonds (distance) P-C4' energy: -151.060
flat angles C4'-P-C4' energy: -177.895
flat angles P-C4'-P energy: -123.752
tors. eta vs tors. theta energy: -222.395
Dist. restrs. and SS energy: 5.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -2547.783098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.783098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.978321 (E_RNA)
where:
Base-Base interactions energy: -1735.394
where: short stacking energy: -758.594
Base-Backbone interact. energy: -1.432
local terms energy: -812.152501
where:
bonds (distance) C4'-P energy: -157.530
bonds (distance) P-C4' energy: -167.721
flat angles C4'-P-C4' energy: -176.567
flat angles P-C4'-P energy: -113.229
tors. eta vs tors. theta energy: -197.104
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: 4, replica: 6
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -2356.912598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.912598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.771803 (E_RNA)
where:
Base-Base interactions energy: -1575.433
where: short stacking energy: -671.939
Base-Backbone interact. energy: -2.126
local terms energy: -781.212436
where:
bonds (distance) C4'-P energy: -157.087
bonds (distance) P-C4' energy: -161.011
flat angles C4'-P-C4' energy: -163.430
flat angles P-C4'-P energy: -118.769
tors. eta vs tors. theta energy: -180.916
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: 5, replica: 10
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -2249.497558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.497558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.541928 (E_RNA)
where:
Base-Base interactions energy: -1509.579
where: short stacking energy: -663.671
Base-Backbone interact. energy: 1.494
local terms energy: -743.457484
where:
bonds (distance) C4'-P energy: -147.856
bonds (distance) P-C4' energy: -138.269
flat angles C4'-P-C4' energy: -163.721
flat angles P-C4'-P energy: -111.966
tors. eta vs tors. theta energy: -181.646
Dist. restrs. and SS energy: 2.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -2176.060529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.060529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.866976 (E_RNA)
where:
Base-Base interactions energy: -1464.932
where: short stacking energy: -630.809
Base-Backbone interact. energy: -0.815
local terms energy: -713.119934
where:
bonds (distance) C4'-P energy: -154.406
bonds (distance) P-C4' energy: -153.690
flat angles C4'-P-C4' energy: -139.252
flat angles P-C4'-P energy: -96.645
tors. eta vs tors. theta energy: -169.127
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: 7, replica: 8
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -2052.056999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.056999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.549847 (E_RNA)
where:
Base-Base interactions energy: -1377.120
where: short stacking energy: -599.718
Base-Backbone interact. energy: 1.789
local terms energy: -679.218659
where:
bonds (distance) C4'-P energy: -140.801
bonds (distance) P-C4' energy: -133.186
flat angles C4'-P-C4' energy: -151.011
flat angles P-C4'-P energy: -91.881
tors. eta vs tors. theta energy: -162.340
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: 8, replica: 1
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -2000.066075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.066075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.271764 (E_RNA)
where:
Base-Base interactions energy: -1357.628
where: short stacking energy: -580.077
Base-Backbone interact. energy: -4.182
local terms energy: -640.462196
where:
bonds (distance) C4'-P energy: -110.321
bonds (distance) P-C4' energy: -138.785
flat angles C4'-P-C4' energy: -151.057
flat angles P-C4'-P energy: -83.863
tors. eta vs tors. theta energy: -156.436
Dist. restrs. and SS energy: 2.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -1863.870163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.870163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.391340 (E_RNA)
where:
Base-Base interactions energy: -1223.589
where: short stacking energy: -511.432
Base-Backbone interact. energy: -0.230
local terms energy: -645.572783
where:
bonds (distance) C4'-P energy: -129.239
bonds (distance) P-C4' energy: -154.374
flat angles C4'-P-C4' energy: -139.814
flat angles P-C4'-P energy: -89.004
tors. eta vs tors. theta energy: -133.142
Dist. restrs. and SS energy: 5.521 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -1829.604432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.604432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.770369 (E_RNA)
where:
Base-Base interactions energy: -1241.746
where: short stacking energy: -501.275
Base-Backbone interact. energy: -2.789
local terms energy: -588.235427
where:
bonds (distance) C4'-P energy: -132.491
bonds (distance) P-C4' energy: -121.349
flat angles C4'-P-C4' energy: -121.749
flat angles P-C4'-P energy: -82.747
tors. eta vs tors. theta energy: -129.900
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: 1, replica: 4
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -2696.715247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.715247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.800530 (E_RNA)
where:
Base-Base interactions energy: -1822.269
where: short stacking energy: -807.853
Base-Backbone interact. energy: -1.029
local terms energy: -874.502467
where:
bonds (distance) C4'-P energy: -168.232
bonds (distance) P-C4' energy: -170.454
flat angles C4'-P-C4' energy: -183.131
flat angles P-C4'-P energy: -127.559
tors. eta vs tors. theta energy: -225.128
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: 2, replica: 7
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -2573.530801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.530801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.945458 (E_RNA)
where:
Base-Base interactions energy: -1759.299
where: short stacking energy: -737.880
Base-Backbone interact. energy: -0.423
local terms energy: -817.223390
where:
bonds (distance) C4'-P energy: -148.745
bonds (distance) P-C4' energy: -160.538
flat angles C4'-P-C4' energy: -183.042
flat angles P-C4'-P energy: -108.901
tors. eta vs tors. theta energy: -215.998
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: 3, replica: 9
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -2553.403356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.403356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.411935 (E_RNA)
where:
Base-Base interactions energy: -1771.128
where: short stacking energy: -750.392
Base-Backbone interact. energy: -3.341
local terms energy: -781.942920
where:
bonds (distance) C4'-P energy: -146.661
bonds (distance) P-C4' energy: -147.672
flat angles C4'-P-C4' energy: -168.792
flat angles P-C4'-P energy: -100.272
tors. eta vs tors. theta energy: -218.546
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: 4, replica: 6
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -2315.270589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.270589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.505131 (E_RNA)
where:
Base-Base interactions energy: -1558.660
where: short stacking energy: -679.308
Base-Backbone interact. energy: -2.299
local terms energy: -756.545748
where:
bonds (distance) C4'-P energy: -149.665
bonds (distance) P-C4' energy: -144.019
flat angles C4'-P-C4' energy: -147.324
flat angles P-C4'-P energy: -120.021
tors. eta vs tors. theta energy: -195.517
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: 5, replica: 2
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -2289.985906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.985906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.118940 (E_RNA)
where:
Base-Base interactions energy: -1540.978
where: short stacking energy: -694.135
Base-Backbone interact. energy: 4.430
local terms energy: -757.571544
where:
bonds (distance) C4'-P energy: -144.182
bonds (distance) P-C4' energy: -143.559
flat angles C4'-P-C4' energy: -174.284
flat angles P-C4'-P energy: -98.169
tors. eta vs tors. theta energy: -197.377
Dist. restrs. and SS energy: 4.133 (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: 10
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -2215.878408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.878408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.657063 (E_RNA)
where:
Base-Base interactions energy: -1483.354
where: short stacking energy: -660.465
Base-Backbone interact. energy: 1.499
local terms energy: -736.801783
where:
bonds (distance) C4'-P energy: -134.295
bonds (distance) P-C4' energy: -149.742
flat angles C4'-P-C4' energy: -163.726
flat angles P-C4'-P energy: -92.050
tors. eta vs tors. theta energy: -196.989
Dist. restrs. and SS energy: 2.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -2068.137880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.137880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.250988 (E_RNA)
where:
Base-Base interactions energy: -1405.776
where: short stacking energy: -583.584
Base-Backbone interact. energy: -2.125
local terms energy: -663.349425
where:
bonds (distance) C4'-P energy: -121.277
bonds (distance) P-C4' energy: -122.078
flat angles C4'-P-C4' energy: -159.756
flat angles P-C4'-P energy: -94.979
tors. eta vs tors. theta energy: -165.259
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: 8, replica: 8
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -1997.236357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.236357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.443352 (E_RNA)
where:
Base-Base interactions energy: -1358.221
where: short stacking energy: -573.352
Base-Backbone interact. energy: 1.210
local terms energy: -642.433227
where:
bonds (distance) C4'-P energy: -132.051
bonds (distance) P-C4' energy: -128.433
flat angles C4'-P-C4' energy: -154.237
flat angles P-C4'-P energy: -85.629
tors. eta vs tors. theta energy: -142.084
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: 9, replica: 5
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -1897.701703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.701703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.752163 (E_RNA)
where:
Base-Base interactions energy: -1290.987
where: short stacking energy: -567.231
Base-Backbone interact. energy: 4.229
local terms energy: -623.994510
where:
bonds (distance) C4'-P energy: -121.039
bonds (distance) P-C4' energy: -134.497
flat angles C4'-P-C4' energy: -155.136
flat angles P-C4'-P energy: -77.494
tors. eta vs tors. theta energy: -135.828
Dist. restrs. and SS energy: 13.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -1812.937345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.937345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.484424 (E_RNA)
where:
Base-Base interactions energy: -1217.167
where: short stacking energy: -505.768
Base-Backbone interact. energy: 2.871
local terms energy: -604.188347
where:
bonds (distance) C4'-P energy: -121.804
bonds (distance) P-C4' energy: -135.016
flat angles C4'-P-C4' energy: -145.902
flat angles P-C4'-P energy: -76.788
tors. eta vs tors. theta energy: -124.677
Dist. restrs. and SS energy: 5.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -2717.223118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.223118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.236684 (E_RNA)
where:
Base-Base interactions energy: -1840.911
where: short stacking energy: -823.583
Base-Backbone interact. energy: -2.613
local terms energy: -874.713015
where:
bonds (distance) C4'-P energy: -153.914
bonds (distance) P-C4' energy: -166.458
flat angles C4'-P-C4' energy: -187.427
flat angles P-C4'-P energy: -120.230
tors. eta vs tors. theta energy: -246.684
Dist. restrs. and SS energy: 1.014 (S_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: 31
Temperature: 0.950000
Total energy: -2652.769118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.769118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.213238 (E_RNA)
where:
Base-Base interactions energy: -1824.540
where: short stacking energy: -779.140
Base-Backbone interact. energy: -4.514
local terms energy: -825.159103
where:
bonds (distance) C4'-P energy: -159.209
bonds (distance) P-C4' energy: -163.370
flat angles C4'-P-C4' energy: -162.521
flat angles P-C4'-P energy: -110.222
tors. eta vs tors. theta energy: -229.837
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: 7
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -2483.425073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.425073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.678527 (E_RNA)
where:
Base-Base interactions energy: -1691.305
where: short stacking energy: -710.462
Base-Backbone interact. energy: -2.034
local terms energy: -796.339095
where:
bonds (distance) C4'-P energy: -147.740
bonds (distance) P-C4' energy: -154.609
flat angles C4'-P-C4' energy: -182.513
flat angles P-C4'-P energy: -111.583
tors. eta vs tors. theta energy: -199.894
Dist. restrs. and SS energy: 6.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -2354.488548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.488548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.788012 (E_RNA)
where:
Base-Base interactions energy: -1582.905
where: short stacking energy: -692.940
Base-Backbone interact. energy: -3.826
local terms energy: -769.056897
where:
bonds (distance) C4'-P energy: -139.966
bonds (distance) P-C4' energy: -163.443
flat angles C4'-P-C4' energy: -168.281
flat angles P-C4'-P energy: -109.306
tors. eta vs tors. theta energy: -188.061
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: 5, replica: 2
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -2237.339429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.339429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.831829 (E_RNA)
where:
Base-Base interactions energy: -1510.017
where: short stacking energy: -652.411
Base-Backbone interact. energy: 1.335
local terms energy: -731.150396
where:
bonds (distance) C4'-P energy: -136.845
bonds (distance) P-C4' energy: -150.996
flat angles C4'-P-C4' energy: -162.229
flat angles P-C4'-P energy: -100.623
tors. eta vs tors. theta energy: -180.458
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: 10
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -2166.653368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.653368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.592197 (E_RNA)
where:
Base-Base interactions energy: -1441.174
where: short stacking energy: -612.815
Base-Backbone interact. energy: -0.484
local terms energy: -726.934162
where:
bonds (distance) C4'-P energy: -125.466
bonds (distance) P-C4' energy: -144.410
flat angles C4'-P-C4' energy: -170.238
flat angles P-C4'-P energy: -105.715
tors. eta vs tors. theta energy: -181.105
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: 7, replica: 1
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -2027.861855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.861855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.302577 (E_RNA)
where:
Base-Base interactions energy: -1388.946
where: short stacking energy: -598.437
Base-Backbone interact. energy: -0.538
local terms energy: -639.818822
where:
bonds (distance) C4'-P energy: -129.751
bonds (distance) P-C4' energy: -120.595
flat angles C4'-P-C4' energy: -126.814
flat angles P-C4'-P energy: -94.603
tors. eta vs tors. theta energy: -168.056
Dist. restrs. and SS energy: 1.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -1942.513260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.513260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.170665 (E_RNA)
where:
Base-Base interactions energy: -1308.532
where: short stacking energy: -558.487
Base-Backbone interact. energy: -0.587
local terms energy: -639.051750
where:
bonds (distance) C4'-P energy: -120.675
bonds (distance) P-C4' energy: -143.733
flat angles C4'-P-C4' energy: -140.755
flat angles P-C4'-P energy: -100.492
tors. eta vs tors. theta energy: -133.397
Dist. restrs. and SS energy: 5.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -1927.681904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.681904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.565603 (E_RNA)
where:
Base-Base interactions energy: -1330.053
where: short stacking energy: -567.198
Base-Backbone interact. energy: 1.704
local terms energy: -602.216632
where:
bonds (distance) C4'-P energy: -119.455
bonds (distance) P-C4' energy: -116.233
flat angles C4'-P-C4' energy: -130.640
flat angles P-C4'-P energy: -88.186
tors. eta vs tors. theta energy: -147.702
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: 10, replica: 3
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -1815.267594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.267594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.250665 (E_RNA)
where:
Base-Base interactions energy: -1248.040
where: short stacking energy: -526.223
Base-Backbone interact. energy: -1.383
local terms energy: -580.828095
where:
bonds (distance) C4'-P energy: -104.392
bonds (distance) P-C4' energy: -123.096
flat angles C4'-P-C4' energy: -130.366
flat angles P-C4'-P energy: -74.016
tors. eta vs tors. theta energy: -148.959
Dist. restrs. and SS energy: 14.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -2704.951709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.951709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.318310 (E_RNA)
where:
Base-Base interactions energy: -1857.446
where: short stacking energy: -804.074
Base-Backbone interact. energy: -3.005
local terms energy: -845.867857
where:
bonds (distance) C4'-P energy: -163.030
bonds (distance) P-C4' energy: -158.633
flat angles C4'-P-C4' energy: -183.901
flat angles P-C4'-P energy: -108.692
tors. eta vs tors. theta energy: -231.611
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: 2, replica: 4
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -2617.958988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.958988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.779105 (E_RNA)
where:
Base-Base interactions energy: -1753.467
where: short stacking energy: -732.498
Base-Backbone interact. energy: -2.923
local terms energy: -862.389145
where:
bonds (distance) C4'-P energy: -176.847
bonds (distance) P-C4' energy: -165.990
flat angles C4'-P-C4' energy: -174.898
flat angles P-C4'-P energy: -133.529
tors. eta vs tors. theta energy: -211.125
Dist. restrs. and SS energy: 0.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -2435.411787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.411787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.665486 (E_RNA)
where:
Base-Base interactions energy: -1657.729
where: short stacking energy: -752.271
Base-Backbone interact. energy: -1.910
local terms energy: -777.026699
where:
bonds (distance) C4'-P energy: -155.339
bonds (distance) P-C4' energy: -134.713
flat angles C4'-P-C4' energy: -164.724
flat angles P-C4'-P energy: -108.784
tors. eta vs tors. theta energy: -213.467
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: 4, replica: 7
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -2414.346051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.346051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.282204 (E_RNA)
where:
Base-Base interactions energy: -1655.915
where: short stacking energy: -689.010
Base-Backbone interact. energy: -2.048
local terms energy: -759.318837
where:
bonds (distance) C4'-P energy: -148.757
bonds (distance) P-C4' energy: -159.135
flat angles C4'-P-C4' energy: -158.954
flat angles P-C4'-P energy: -97.257
tors. eta vs tors. theta energy: -195.217
Dist. restrs. and SS energy: 2.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -2233.989565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.989565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.090074 (E_RNA)
where:
Base-Base interactions energy: -1499.684
where: short stacking energy: -669.608
Base-Backbone interact. energy: 7.857
local terms energy: -745.262855
where:
bonds (distance) C4'-P energy: -136.353
bonds (distance) P-C4' energy: -153.257
flat angles C4'-P-C4' energy: -173.442
flat angles P-C4'-P energy: -99.218
tors. eta vs tors. theta energy: -182.993
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: 10
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -2146.441351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.441351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.743986 (E_RNA)
where:
Base-Base interactions energy: -1446.774
where: short stacking energy: -607.299
Base-Backbone interact. energy: -2.186
local terms energy: -698.784141
where:
bonds (distance) C4'-P energy: -125.137
bonds (distance) P-C4' energy: -132.974
flat angles C4'-P-C4' energy: -159.973
flat angles P-C4'-P energy: -119.246
tors. eta vs tors. theta energy: -161.453
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: 1
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -2120.840975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.840975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.399963 (E_RNA)
where:
Base-Base interactions energy: -1431.161
where: short stacking energy: -610.490
Base-Backbone interact. energy: -3.053
local terms energy: -688.185497
where:
bonds (distance) C4'-P energy: -133.461
bonds (distance) P-C4' energy: -151.985
flat angles C4'-P-C4' energy: -158.048
flat angles P-C4'-P energy: -71.263
tors. eta vs tors. theta energy: -173.429
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: 8, replica: 5
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -1941.866806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.866806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.183887 (E_RNA)
where:
Base-Base interactions energy: -1320.907
where: short stacking energy: -564.884
Base-Backbone interact. energy: 0.477
local terms energy: -631.753923
where:
bonds (distance) C4'-P energy: -146.525
bonds (distance) P-C4' energy: -130.730
flat angles C4'-P-C4' energy: -146.746
flat angles P-C4'-P energy: -84.202
tors. eta vs tors. theta energy: -123.551
Dist. restrs. and SS energy: 10.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -1885.194649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.194649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.061830 (E_RNA)
where:
Base-Base interactions energy: -1253.209
where: short stacking energy: -535.583
Base-Backbone interact. energy: -1.430
local terms energy: -635.423083
where:
bonds (distance) C4'-P energy: -132.580
bonds (distance) P-C4' energy: -127.588
flat angles C4'-P-C4' energy: -144.457
flat angles P-C4'-P energy: -102.607
tors. eta vs tors. theta energy: -128.191
Dist. restrs. and SS energy: 4.867 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -1775.622253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.622253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.175341 (E_RNA)
where:
Base-Base interactions energy: -1175.960
where: short stacking energy: -498.090
Base-Backbone interact. energy: -1.293
local terms energy: -610.922271
where:
bonds (distance) C4'-P energy: -148.497
bonds (distance) P-C4' energy: -107.968
flat angles C4'-P-C4' energy: -156.385
flat angles P-C4'-P energy: -88.911
tors. eta vs tors. theta energy: -109.161
Dist. restrs. and SS energy: 12.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -2713.089607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.089607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.905581 (E_RNA)
where:
Base-Base interactions energy: -1840.234
where: short stacking energy: -775.055
Base-Backbone interact. energy: -2.126
local terms energy: -873.545115
where:
bonds (distance) C4'-P energy: -161.751
bonds (distance) P-C4' energy: -168.053
flat angles C4'-P-C4' energy: -190.150
flat angles P-C4'-P energy: -126.236
tors. eta vs tors. theta energy: -227.355
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: 2, replica: 4
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -2608.636507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.636507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.953341 (E_RNA)
where:
Base-Base interactions energy: -1763.123
where: short stacking energy: -769.112
Base-Backbone interact. energy: 0.811
local terms energy: -847.641780
where:
bonds (distance) C4'-P energy: -153.960
bonds (distance) P-C4' energy: -158.908
flat angles C4'-P-C4' energy: -188.540
flat angles P-C4'-P energy: -128.397
tors. eta vs tors. theta energy: -217.836
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: 6
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -2471.228835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.228835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.837768 (E_RNA)
where:
Base-Base interactions energy: -1675.013
where: short stacking energy: -706.480
Base-Backbone interact. energy: -3.518
local terms energy: -794.306793
where:
bonds (distance) C4'-P energy: -152.276
bonds (distance) P-C4' energy: -170.482
flat angles C4'-P-C4' energy: -174.082
flat angles P-C4'-P energy: -95.588
tors. eta vs tors. theta energy: -201.879
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: 7
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -2353.273660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.273660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.390727 (E_RNA)
where:
Base-Base interactions energy: -1596.638
where: short stacking energy: -698.787
Base-Backbone interact. energy: 1.929
local terms energy: -761.681979
where:
bonds (distance) C4'-P energy: -125.827
bonds (distance) P-C4' energy: -154.041
flat angles C4'-P-C4' energy: -181.331
flat angles P-C4'-P energy: -100.134
tors. eta vs tors. theta energy: -200.348
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: 5, replica: 2
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -2257.288765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.288765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.165272 (E_RNA)
where:
Base-Base interactions energy: -1519.377
where: short stacking energy: -646.250
Base-Backbone interact. energy: 12.650
local terms energy: -752.438234
where:
bonds (distance) C4'-P energy: -142.979
bonds (distance) P-C4' energy: -148.670
flat angles C4'-P-C4' energy: -167.162
flat angles P-C4'-P energy: -109.374
tors. eta vs tors. theta energy: -184.253
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: 6, replica: 10
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -2178.327463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.327463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.979048 (E_RNA)
where:
Base-Base interactions energy: -1490.456
where: short stacking energy: -628.975
Base-Backbone interact. energy: -2.587
local terms energy: -687.935280
where:
bonds (distance) C4'-P energy: -147.325
bonds (distance) P-C4' energy: -134.245
flat angles C4'-P-C4' energy: -159.110
flat angles P-C4'-P energy: -81.570
tors. eta vs tors. theta energy: -165.684
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: 7, replica: 1
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -2070.083975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.083975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.830085 (E_RNA)
where:
Base-Base interactions energy: -1368.729
where: short stacking energy: -589.621
Base-Backbone interact. energy: -3.559
local terms energy: -701.542711
where:
bonds (distance) C4'-P energy: -139.692
bonds (distance) P-C4' energy: -149.034
flat angles C4'-P-C4' energy: -156.542
flat angles P-C4'-P energy: -97.352
tors. eta vs tors. theta energy: -158.922
Dist. restrs. and SS energy: 3.746 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -1968.849980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.849980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.621408 (E_RNA)
where:
Base-Base interactions energy: -1316.472
where: short stacking energy: -572.049
Base-Backbone interact. energy: -3.434
local terms energy: -654.715133
where:
bonds (distance) C4'-P energy: -128.119
bonds (distance) P-C4' energy: -136.656
flat angles C4'-P-C4' energy: -152.807
flat angles P-C4'-P energy: -86.760
tors. eta vs tors. theta energy: -150.373
Dist. restrs. and SS energy: 5.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -1922.292318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.292318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.020508 (E_RNA)
where:
Base-Base interactions energy: -1277.007
where: short stacking energy: -536.097
Base-Backbone interact. energy: -2.418
local terms energy: -646.595709
where:
bonds (distance) C4'-P energy: -142.690
bonds (distance) P-C4' energy: -141.029
flat angles C4'-P-C4' energy: -144.795
flat angles P-C4'-P energy: -74.948
tors. eta vs tors. theta energy: -143.134
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: 10, replica: 3
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -1735.387407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.387407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.776409 (E_RNA)
where:
Base-Base interactions energy: -1173.916
where: short stacking energy: -496.317
Base-Backbone interact. energy: -0.585
local terms energy: -577.275105
where:
bonds (distance) C4'-P energy: -118.289
bonds (distance) P-C4' energy: -131.388
flat angles C4'-P-C4' energy: -120.903
flat angles P-C4'-P energy: -81.895
tors. eta vs tors. theta energy: -124.800
Dist. restrs. and SS energy: 16.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -2710.274641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.274641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.383884 (E_RNA)
where:
Base-Base interactions energy: -1841.688
where: short stacking energy: -800.418
Base-Backbone interact. energy: -1.431
local terms energy: -869.265820
where:
bonds (distance) C4'-P energy: -174.408
bonds (distance) P-C4' energy: -164.128
flat angles C4'-P-C4' energy: -182.700
flat angles P-C4'-P energy: -126.423
tors. eta vs tors. theta energy: -221.607
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: 2, replica: 4
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -2638.409692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.409692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.966801 (E_RNA)
where:
Base-Base interactions energy: -1786.126
where: short stacking energy: -787.280
Base-Backbone interact. energy: -5.186
local terms energy: -848.653930
where:
bonds (distance) C4'-P energy: -150.537
bonds (distance) P-C4' energy: -181.176
flat angles C4'-P-C4' energy: -175.234
flat angles P-C4'-P energy: -126.547
tors. eta vs tors. theta energy: -215.160
Dist. restrs. and SS energy: 1.557 (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: 34
Temperature: 1.000000
Total energy: -2493.918516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.918516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.292579 (E_RNA)
where:
Base-Base interactions energy: -1696.445
where: short stacking energy: -716.156
Base-Backbone interact. energy: -2.331
local terms energy: -796.516157
where:
bonds (distance) C4'-P energy: -142.412
bonds (distance) P-C4' energy: -153.710
flat angles C4'-P-C4' energy: -176.212
flat angles P-C4'-P energy: -115.932
tors. eta vs tors. theta energy: -208.250
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: 7
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -2373.149415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.149415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.084125 (E_RNA)
where:
Base-Base interactions energy: -1631.621
where: short stacking energy: -698.951
Base-Backbone interact. energy: 3.420
local terms energy: -748.883367
where:
bonds (distance) C4'-P energy: -139.878
bonds (distance) P-C4' energy: -137.535
flat angles C4'-P-C4' energy: -162.319
flat angles P-C4'-P energy: -106.978
tors. eta vs tors. theta energy: -202.173
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: 5, replica: 2
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -2234.593716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.593716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.280478 (E_RNA)
where:
Base-Base interactions energy: -1493.773
where: short stacking energy: -679.437
Base-Backbone interact. energy: 4.428
local terms energy: -746.935614
where:
bonds (distance) C4'-P energy: -137.929
bonds (distance) P-C4' energy: -139.851
flat angles C4'-P-C4' energy: -162.972
flat angles P-C4'-P energy: -109.307
tors. eta vs tors. theta energy: -196.878
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: 10
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -2153.402887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.402887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.223129 (E_RNA)
where:
Base-Base interactions energy: -1424.081
where: short stacking energy: -610.646
Base-Backbone interact. energy: 1.013
local terms energy: -732.154474
where:
bonds (distance) C4'-P energy: -153.821
bonds (distance) P-C4' energy: -159.610
flat angles C4'-P-C4' energy: -146.986
flat angles P-C4'-P energy: -100.597
tors. eta vs tors. theta energy: -171.141
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: 7, replica: 1
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -2076.062645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.062645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.973213 (E_RNA)
where:
Base-Base interactions energy: -1367.461
where: short stacking energy: -577.462
Base-Backbone interact. energy: -1.383
local terms energy: -711.129113
where:
bonds (distance) C4'-P energy: -149.580
bonds (distance) P-C4' energy: -135.363
flat angles C4'-P-C4' energy: -156.273
flat angles P-C4'-P energy: -108.407
tors. eta vs tors. theta energy: -161.506
Dist. restrs. and SS energy: 3.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -1977.563628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.563628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.496380 (E_RNA)
where:
Base-Base interactions energy: -1327.462
where: short stacking energy: -563.965
Base-Backbone interact. energy: 2.324
local terms energy: -655.358005
where:
bonds (distance) C4'-P energy: -143.268
bonds (distance) P-C4' energy: -124.974
flat angles C4'-P-C4' energy: -158.277
flat angles P-C4'-P energy: -85.490
tors. eta vs tors. theta energy: -143.349
Dist. restrs. and SS energy: 2.933 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -1958.872370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.872370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.713051 (E_RNA)
where:
Base-Base interactions energy: -1329.953
where: short stacking energy: -555.198
Base-Backbone interact. energy: 1.312
local terms energy: -633.073035
where:
bonds (distance) C4'-P energy: -127.184
bonds (distance) P-C4' energy: -120.412
flat angles C4'-P-C4' energy: -128.982
flat angles P-C4'-P energy: -107.881
tors. eta vs tors. theta energy: -148.614
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: 3
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -1784.069566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.069566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.887401 (E_RNA)
where:
Base-Base interactions energy: -1251.610
where: short stacking energy: -501.751
Base-Backbone interact. energy: 0.494
local terms energy: -543.771214
where:
bonds (distance) C4'-P energy: -111.593
bonds (distance) P-C4' energy: -114.121
flat angles C4'-P-C4' energy: -129.354
flat angles P-C4'-P energy: -56.476
tors. eta vs tors. theta energy: -132.227
Dist. restrs. and SS energy: 10.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -2704.674802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.674802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.225058 (E_RNA)
where:
Base-Base interactions energy: -1885.246
where: short stacking energy: -801.033
Base-Backbone interact. energy: -1.646
local terms energy: -820.332678
where:
bonds (distance) C4'-P energy: -153.048
bonds (distance) P-C4' energy: -139.498
flat angles C4'-P-C4' energy: -185.973
flat angles P-C4'-P energy: -112.089
tors. eta vs tors. theta energy: -229.725
Dist. restrs. and SS energy: 2.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -2589.683926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.683926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.969885 (E_RNA)
where:
Base-Base interactions energy: -1754.655
where: short stacking energy: -786.252
Base-Backbone interact. energy: -1.609
local terms energy: -836.705209
where:
bonds (distance) C4'-P energy: -146.353
bonds (distance) P-C4' energy: -167.776
flat angles C4'-P-C4' energy: -181.553
flat angles P-C4'-P energy: -116.161
tors. eta vs tors. theta energy: -224.861
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: 3, replica: 6
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -2469.194016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.194016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.951863 (E_RNA)
where:
Base-Base interactions energy: -1683.080
where: short stacking energy: -730.650
Base-Backbone interact. energy: -2.442
local terms energy: -786.430620
where:
bonds (distance) C4'-P energy: -153.348
bonds (distance) P-C4' energy: -158.475
flat angles C4'-P-C4' energy: -168.478
flat angles P-C4'-P energy: -104.717
tors. eta vs tors. theta energy: -201.414
Dist. restrs. and SS energy: 2.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -2368.729701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.729701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.359042 (E_RNA)
where:
Base-Base interactions energy: -1592.730
where: short stacking energy: -696.209
Base-Backbone interact. energy: -1.368
local terms energy: -777.260595
where:
bonds (distance) C4'-P energy: -150.275
bonds (distance) P-C4' energy: -148.620
flat angles C4'-P-C4' energy: -165.809
flat angles P-C4'-P energy: -105.353
tors. eta vs tors. theta energy: -207.204
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: 5, replica: 2
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -2231.242302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.242302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.784279 (E_RNA)
where:
Base-Base interactions energy: -1489.988
where: short stacking energy: -671.693
Base-Backbone interact. energy: 2.259
local terms energy: -745.054806
where:
bonds (distance) C4'-P energy: -138.361
bonds (distance) P-C4' energy: -156.067
flat angles C4'-P-C4' energy: -169.960
flat angles P-C4'-P energy: -100.843
tors. eta vs tors. theta energy: -179.823
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: 6, replica: 10
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -2109.832781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.832781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.662698 (E_RNA)
where:
Base-Base interactions energy: -1418.689
where: short stacking energy: -622.285
Base-Backbone interact. energy: 3.789
local terms energy: -697.762640
where:
bonds (distance) C4'-P energy: -146.891
bonds (distance) P-C4' energy: -134.019
flat angles C4'-P-C4' energy: -150.720
flat angles P-C4'-P energy: -95.160
tors. eta vs tors. theta energy: -170.973
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: 7, replica: 1
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -2101.333130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.333130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.006390 (E_RNA)
where:
Base-Base interactions energy: -1435.697
where: short stacking energy: -601.726
Base-Backbone interact. energy: 0.800
local terms energy: -669.109699
where:
bonds (distance) C4'-P energy: -135.095
bonds (distance) P-C4' energy: -127.632
flat angles C4'-P-C4' energy: -158.267
flat angles P-C4'-P energy: -87.901
tors. eta vs tors. theta energy: -160.216
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: 5
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -1986.266575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.266575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.349332 (E_RNA)
where:
Base-Base interactions energy: -1321.704
where: short stacking energy: -563.524
Base-Backbone interact. energy: 0.020
local terms energy: -667.664741
where:
bonds (distance) C4'-P energy: -146.593
bonds (distance) P-C4' energy: -137.418
flat angles C4'-P-C4' energy: -124.753
flat angles P-C4'-P energy: -99.305
tors. eta vs tors. theta energy: -159.595
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: 9, replica: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -1965.095641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.095641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.749132 (E_RNA)
where:
Base-Base interactions energy: -1307.536
where: short stacking energy: -558.491
Base-Backbone interact. energy: 0.193
local terms energy: -661.406354
where:
bonds (distance) C4'-P energy: -148.216
bonds (distance) P-C4' energy: -138.910
flat angles C4'-P-C4' energy: -139.704
flat angles P-C4'-P energy: -88.169
tors. eta vs tors. theta energy: -146.408
Dist. restrs. and SS energy: 3.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -1797.122083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.122083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.174528 (E_RNA)
where:
Base-Base interactions energy: -1231.928
where: short stacking energy: -514.188
Base-Backbone interact. energy: -2.008
local terms energy: -579.238388
where:
bonds (distance) C4'-P energy: -121.033
bonds (distance) P-C4' energy: -134.621
flat angles C4'-P-C4' energy: -131.153
flat angles P-C4'-P energy: -73.329
tors. eta vs tors. theta energy: -119.102
Dist. restrs. and SS energy: 16.052 (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: 36
Temperature: 0.900000
Total energy: -2737.660974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.660974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.716644 (E_RNA)
where:
Base-Base interactions energy: -1884.773
where: short stacking energy: -804.447
Base-Backbone interact. energy: -1.459
local terms energy: -853.484520
where:
bonds (distance) C4'-P energy: -164.771
bonds (distance) P-C4' energy: -161.489
flat angles C4'-P-C4' energy: -164.013
flat angles P-C4'-P energy: -136.091
tors. eta vs tors. theta energy: -227.120
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: 2, replica: 4
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -2608.331824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.331824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.878331 (E_RNA)
where:
Base-Base interactions energy: -1757.288
where: short stacking energy: -774.203
Base-Backbone interact. energy: 4.975
local terms energy: -857.565000
where:
bonds (distance) C4'-P energy: -153.661
bonds (distance) P-C4' energy: -160.374
flat angles C4'-P-C4' energy: -174.974
flat angles P-C4'-P energy: -147.560
tors. eta vs tors. theta energy: -220.995
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: 3, replica: 6
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -2489.585718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.585718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.622560 (E_RNA)
where:
Base-Base interactions energy: -1704.042
where: short stacking energy: -737.437
Base-Backbone interact. energy: 3.519
local terms energy: -790.099991
where:
bonds (distance) C4'-P energy: -151.633
bonds (distance) P-C4' energy: -154.156
flat angles C4'-P-C4' energy: -178.591
flat angles P-C4'-P energy: -99.296
tors. eta vs tors. theta energy: -206.425
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: 4, replica: 7
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -2355.232812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.232812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.000980 (E_RNA)
where:
Base-Base interactions energy: -1596.034
where: short stacking energy: -713.378
Base-Backbone interact. energy: -6.327
local terms energy: -754.640358
where:
bonds (distance) C4'-P energy: -141.355
bonds (distance) P-C4' energy: -144.966
flat angles C4'-P-C4' energy: -165.326
flat angles P-C4'-P energy: -113.948
tors. eta vs tors. theta energy: -189.045
Dist. restrs. and SS energy: 1.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -2300.781913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.781913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.129673 (E_RNA)
where:
Base-Base interactions energy: -1533.335
where: short stacking energy: -679.046
Base-Backbone interact. energy: 2.222
local terms energy: -771.016881
where:
bonds (distance) C4'-P energy: -136.601
bonds (distance) P-C4' energy: -146.146
flat angles C4'-P-C4' energy: -177.469
flat angles P-C4'-P energy: -124.044
tors. eta vs tors. theta energy: -186.756
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: 6, replica: 10
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -2119.309392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.309392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.092226 (E_RNA)
where:
Base-Base interactions energy: -1436.331
where: short stacking energy: -630.998
Base-Backbone interact. energy: -0.296
local terms energy: -685.464763
where:
bonds (distance) C4'-P energy: -133.295
bonds (distance) P-C4' energy: -143.832
flat angles C4'-P-C4' energy: -157.559
flat angles P-C4'-P energy: -88.395
tors. eta vs tors. theta energy: -162.384
Dist. restrs. and SS energy: 2.783 (S_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: 36
Temperature: 1.200000
Total energy: -2099.692349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.692349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.366260 (E_RNA)
where:
Base-Base interactions energy: -1390.482
where: short stacking energy: -609.472
Base-Backbone interact. energy: -4.618
local terms energy: -707.266268
where:
bonds (distance) C4'-P energy: -134.500
bonds (distance) P-C4' energy: -141.651
flat angles C4'-P-C4' energy: -165.690
flat angles P-C4'-P energy: -103.138
tors. eta vs tors. theta energy: -162.287
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: 8, replica: 1
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -2004.262445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.262445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.159915 (E_RNA)
where:
Base-Base interactions energy: -1364.257
where: short stacking energy: -567.901
Base-Backbone interact. energy: -2.754
local terms energy: -640.148575
where:
bonds (distance) C4'-P energy: -123.641
bonds (distance) P-C4' energy: -124.312
flat angles C4'-P-C4' energy: -155.409
flat angles P-C4'-P energy: -77.556
tors. eta vs tors. theta energy: -159.230
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: 9, replica: 3
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -1836.815281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.815281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.764315 (E_RNA)
where:
Base-Base interactions energy: -1260.476
where: short stacking energy: -538.949
Base-Backbone interact. energy: -0.997
local terms energy: -590.291160
where:
bonds (distance) C4'-P energy: -100.553
bonds (distance) P-C4' energy: -140.364
flat angles C4'-P-C4' energy: -136.502
flat angles P-C4'-P energy: -86.010
tors. eta vs tors. theta energy: -126.861
Dist. restrs. and SS energy: 14.949 (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: 36
Temperature: 1.350000
Total energy: -1806.472466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.472466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.350650 (E_RNA)
where:
Base-Base interactions energy: -1234.572
where: short stacking energy: -500.621
Base-Backbone interact. energy: 0.084
local terms energy: -574.862886
where:
bonds (distance) C4'-P energy: -117.473
bonds (distance) P-C4' energy: -115.057
flat angles C4'-P-C4' energy: -139.800
flat angles P-C4'-P energy: -81.116
tors. eta vs tors. theta energy: -121.417
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: 1, replica: 9
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -2719.756336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.756336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.890276 (E_RNA)
where:
Base-Base interactions energy: -1867.198
where: short stacking energy: -808.226
Base-Backbone interact. energy: -0.347
local terms energy: -854.344977
where:
bonds (distance) C4'-P energy: -160.505
bonds (distance) P-C4' energy: -171.047
flat angles C4'-P-C4' energy: -190.498
flat angles P-C4'-P energy: -96.247
tors. eta vs tors. theta energy: -236.048
Dist. restrs. and SS energy: 2.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -2620.907206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.907206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.449861 (E_RNA)
where:
Base-Base interactions energy: -1806.070
where: short stacking energy: -779.240
Base-Backbone interact. energy: 3.960
local terms energy: -820.339871
where:
bonds (distance) C4'-P energy: -165.655
bonds (distance) P-C4' energy: -164.303
flat angles C4'-P-C4' energy: -164.596
flat angles P-C4'-P energy: -111.249
tors. eta vs tors. theta energy: -214.536
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: 3, replica: 6
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -2452.705804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.705804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.457942 (E_RNA)
where:
Base-Base interactions energy: -1663.496
where: short stacking energy: -726.611
Base-Backbone interact. energy: 0.699
local terms energy: -791.660984
where:
bonds (distance) C4'-P energy: -139.234
bonds (distance) P-C4' energy: -155.130
flat angles C4'-P-C4' energy: -171.093
flat angles P-C4'-P energy: -122.924
tors. eta vs tors. theta energy: -203.280
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: 4, replica: 7
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -2370.868524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.868524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.085996 (E_RNA)
where:
Base-Base interactions energy: -1585.615
where: short stacking energy: -682.818
Base-Backbone interact. energy: -2.611
local terms energy: -784.860321
where:
bonds (distance) C4'-P energy: -142.438
bonds (distance) P-C4' energy: -153.835
flat angles C4'-P-C4' energy: -178.687
flat angles P-C4'-P energy: -112.581
tors. eta vs tors. theta energy: -197.320
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: 5, replica: 2
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -2314.717643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.717643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.192918 (E_RNA)
where:
Base-Base interactions energy: -1571.950
where: short stacking energy: -659.412
Base-Backbone interact. energy: -1.066
local terms energy: -743.176346
where:
bonds (distance) C4'-P energy: -150.533
bonds (distance) P-C4' energy: -142.705
flat angles C4'-P-C4' energy: -167.855
flat angles P-C4'-P energy: -96.683
tors. eta vs tors. theta energy: -185.402
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: 6, replica: 10
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -2126.404607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.404607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.489381 (E_RNA)
where:
Base-Base interactions energy: -1433.803
where: short stacking energy: -612.961
Base-Backbone interact. energy: -1.150
local terms energy: -693.535663
where:
bonds (distance) C4'-P energy: -144.667
bonds (distance) P-C4' energy: -132.061
flat angles C4'-P-C4' energy: -165.598
flat angles P-C4'-P energy: -93.727
tors. eta vs tors. theta energy: -157.482
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: 5
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -2085.569355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.569355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.919215 (E_RNA)
where:
Base-Base interactions energy: -1391.178
where: short stacking energy: -627.028
Base-Backbone interact. energy: -1.965
local terms energy: -694.776486
where:
bonds (distance) C4'-P energy: -139.505
bonds (distance) P-C4' energy: -148.137
flat angles C4'-P-C4' energy: -144.762
flat angles P-C4'-P energy: -90.636
tors. eta vs tors. theta energy: -171.737
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: 8, replica: 1
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -2017.360777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.360777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.961837 (E_RNA)
where:
Base-Base interactions energy: -1354.193
where: short stacking energy: -559.826
Base-Backbone interact. energy: -3.694
local terms energy: -664.074377
where:
bonds (distance) C4'-P energy: -143.264
bonds (distance) P-C4' energy: -141.490
flat angles C4'-P-C4' energy: -155.086
flat angles P-C4'-P energy: -84.195
tors. eta vs tors. theta energy: -140.039
Dist. restrs. and SS energy: 4.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -1889.293472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.293472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.603938 (E_RNA)
where:
Base-Base interactions energy: -1239.359
where: short stacking energy: -501.991
Base-Backbone interact. energy: -1.035
local terms energy: -661.209503
where:
bonds (distance) C4'-P energy: -144.214
bonds (distance) P-C4' energy: -135.898
flat angles C4'-P-C4' energy: -146.690
flat angles P-C4'-P energy: -100.567
tors. eta vs tors. theta energy: -133.841
Dist. restrs. and SS energy: 12.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -1816.975932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.975932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.991240 (E_RNA)
where:
Base-Base interactions energy: -1240.341
where: short stacking energy: -511.582
Base-Backbone interact. energy: 1.698
local terms energy: -583.348621
where:
bonds (distance) C4'-P energy: -128.987
bonds (distance) P-C4' energy: -123.211
flat angles C4'-P-C4' energy: -126.059
flat angles P-C4'-P energy: -82.360
tors. eta vs tors. theta energy: -122.732
Dist. restrs. and SS energy: 5.015 (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: 38
Temperature: 0.900000
Total energy: -2743.986930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.986930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.156888 (E_RNA)
where:
Base-Base interactions energy: -1871.414
where: short stacking energy: -784.114
Base-Backbone interact. energy: -6.021
local terms energy: -868.722084
where:
bonds (distance) C4'-P energy: -158.408
bonds (distance) P-C4' energy: -169.258
flat angles C4'-P-C4' energy: -178.284
flat angles P-C4'-P energy: -129.900
tors. eta vs tors. theta energy: -232.872
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: 2, replica: 4
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -2629.396543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.396543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.506407 (E_RNA)
where:
Base-Base interactions energy: -1778.512
where: short stacking energy: -774.923
Base-Backbone interact. energy: 1.180
local terms energy: -853.173780
where:
bonds (distance) C4'-P energy: -168.296
bonds (distance) P-C4' energy: -159.265
flat angles C4'-P-C4' energy: -177.538
flat angles P-C4'-P energy: -118.248
tors. eta vs tors. theta energy: -229.826
Dist. restrs. and SS energy: 1.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -2477.783831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.783831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.754725 (E_RNA)
where:
Base-Base interactions energy: -1656.401
where: short stacking energy: -738.627
Base-Backbone interact. energy: -2.123
local terms energy: -821.230141
where:
bonds (distance) C4'-P energy: -158.479
bonds (distance) P-C4' energy: -149.076
flat angles C4'-P-C4' energy: -171.225
flat angles P-C4'-P energy: -134.557
tors. eta vs tors. theta energy: -207.892
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: 4, replica: 7
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -2365.144308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.144308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.091181 (E_RNA)
where:
Base-Base interactions energy: -1587.611
where: short stacking energy: -703.870
Base-Backbone interact. energy: -0.292
local terms energy: -779.187902
where:
bonds (distance) C4'-P energy: -144.879
bonds (distance) P-C4' energy: -167.995
flat angles C4'-P-C4' energy: -175.433
flat angles P-C4'-P energy: -88.446
tors. eta vs tors. theta energy: -202.435
Dist. restrs. and SS energy: 1.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -2255.951335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.951335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.120464 (E_RNA)
where:
Base-Base interactions energy: -1518.284
where: short stacking energy: -670.818
Base-Backbone interact. energy: 4.951
local terms energy: -744.787788
where:
bonds (distance) C4'-P energy: -149.511
bonds (distance) P-C4' energy: -145.959
flat angles C4'-P-C4' energy: -165.147
flat angles P-C4'-P energy: -102.847
tors. eta vs tors. theta energy: -181.324
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: 10
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -2216.895062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.895062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.591022 (E_RNA)
where:
Base-Base interactions energy: -1515.180
where: short stacking energy: -635.258
Base-Backbone interact. energy: 6.170
local terms energy: -709.580519
where:
bonds (distance) C4'-P energy: -140.470
bonds (distance) P-C4' energy: -132.726
flat angles C4'-P-C4' energy: -156.973
flat angles P-C4'-P energy: -98.692
tors. eta vs tors. theta energy: -180.719
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: 5
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -2059.237123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.237123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.374932 (E_RNA)
where:
Base-Base interactions energy: -1387.242
where: short stacking energy: -595.650
Base-Backbone interact. energy: 8.206
local terms energy: -682.338963
where:
bonds (distance) C4'-P energy: -126.302
bonds (distance) P-C4' energy: -128.160
flat angles C4'-P-C4' energy: -146.870
flat angles P-C4'-P energy: -119.202
tors. eta vs tors. theta energy: -161.805
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: 8, replica: 1
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -1967.248181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.248181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.019826 (E_RNA)
where:
Base-Base interactions energy: -1367.663
where: short stacking energy: -568.271
Base-Backbone interact. energy: 10.348
local terms energy: -612.705326
where:
bonds (distance) C4'-P energy: -126.365
bonds (distance) P-C4' energy: -129.463
flat angles C4'-P-C4' energy: -128.367
flat angles P-C4'-P energy: -92.269
tors. eta vs tors. theta energy: -136.242
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: 9, replica: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -1918.323039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.323039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.356464 (E_RNA)
where:
Base-Base interactions energy: -1344.847
where: short stacking energy: -539.953
Base-Backbone interact. energy: 3.271
local terms energy: -580.780353
where:
bonds (distance) C4'-P energy: -121.046
bonds (distance) P-C4' energy: -119.476
flat angles C4'-P-C4' energy: -131.666
flat angles P-C4'-P energy: -78.118
tors. eta vs tors. theta energy: -130.475
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: 10, replica: 3
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -1788.978295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.978295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.868491 (E_RNA)
where:
Base-Base interactions energy: -1187.375
where: short stacking energy: -491.685
Base-Backbone interact. energy: -0.686
local terms energy: -614.807372
where:
bonds (distance) C4'-P energy: -139.909
bonds (distance) P-C4' energy: -146.195
flat angles C4'-P-C4' energy: -130.255
flat angles P-C4'-P energy: -84.718
tors. eta vs tors. theta energy: -113.730
Dist. restrs. and SS energy: 13.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -2735.390383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.390383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.587243 (E_RNA)
where:
Base-Base interactions energy: -1877.908
where: short stacking energy: -783.088
Base-Backbone interact. energy: -1.065
local terms energy: -859.614655
where:
bonds (distance) C4'-P energy: -164.125
bonds (distance) P-C4' energy: -155.699
flat angles C4'-P-C4' energy: -186.797
flat angles P-C4'-P energy: -126.520
tors. eta vs tors. theta energy: -226.474
Dist. restrs. and SS energy: 3.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -2626.457448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.457448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.669787 (E_RNA)
where:
Base-Base interactions energy: -1790.455
where: short stacking energy: -763.669
Base-Backbone interact. energy: 4.221
local terms energy: -844.436521
where:
bonds (distance) C4'-P energy: -160.534
bonds (distance) P-C4' energy: -170.732
flat angles C4'-P-C4' energy: -185.342
flat angles P-C4'-P energy: -109.174
tors. eta vs tors. theta energy: -218.654
Dist. restrs. and SS energy: 4.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -2481.184558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.184558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.260069 (E_RNA)
where:
Base-Base interactions energy: -1670.631
where: short stacking energy: -749.916
Base-Backbone interact. energy: -1.858
local terms energy: -809.771053
where:
bonds (distance) C4'-P energy: -139.746
bonds (distance) P-C4' energy: -154.648
flat angles C4'-P-C4' energy: -182.306
flat angles P-C4'-P energy: -121.428
tors. eta vs tors. theta energy: -211.644
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: 7
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -2363.561808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.561808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.349787 (E_RNA)
where:
Base-Base interactions energy: -1616.058
where: short stacking energy: -693.493
Base-Backbone interact. energy: -0.709
local terms energy: -748.582055
where:
bonds (distance) C4'-P energy: -157.535
bonds (distance) P-C4' energy: -140.953
flat angles C4'-P-C4' energy: -158.280
flat angles P-C4'-P energy: -95.006
tors. eta vs tors. theta energy: -196.807
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: 5, replica: 2
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -2274.871117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.871117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.635289 (E_RNA)
where:
Base-Base interactions energy: -1527.925
where: short stacking energy: -654.371
Base-Backbone interact. energy: 1.294
local terms energy: -750.004496
where:
bonds (distance) C4'-P energy: -148.442
bonds (distance) P-C4' energy: -143.213
flat angles C4'-P-C4' energy: -164.618
flat angles P-C4'-P energy: -109.406
tors. eta vs tors. theta energy: -184.326
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: 6, replica: 10
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -2207.539514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.539514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.021892 (E_RNA)
where:
Base-Base interactions energy: -1515.849
where: short stacking energy: -656.037
Base-Backbone interact. energy: 2.639
local terms energy: -696.811923
where:
bonds (distance) C4'-P energy: -126.205
bonds (distance) P-C4' energy: -127.693
flat angles C4'-P-C4' energy: -157.690
flat angles P-C4'-P energy: -108.673
tors. eta vs tors. theta energy: -176.551
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: 5
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -2088.040182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.040182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.774756 (E_RNA)
where:
Base-Base interactions energy: -1410.071
where: short stacking energy: -599.195
Base-Backbone interact. energy: -2.211
local terms energy: -679.492838
where:
bonds (distance) C4'-P energy: -132.092
bonds (distance) P-C4' energy: -151.217
flat angles C4'-P-C4' energy: -142.734
flat angles P-C4'-P energy: -98.887
tors. eta vs tors. theta energy: -154.563
Dist. restrs. and SS energy: 3.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -1976.755816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.755816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.011741 (E_RNA)
where:
Base-Base interactions energy: -1329.599
where: short stacking energy: -558.570
Base-Backbone interact. energy: -1.094
local terms energy: -648.319061
where:
bonds (distance) C4'-P energy: -133.415
bonds (distance) P-C4' energy: -137.482
flat angles C4'-P-C4' energy: -148.558
flat angles P-C4'-P energy: -84.532
tors. eta vs tors. theta energy: -144.332
Dist. restrs. and SS energy: 2.256 (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: 39
Temperature: 1.300000
Total energy: -1942.719329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.719329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.666080 (E_RNA)
where:
Base-Base interactions energy: -1316.293
where: short stacking energy: -546.061
Base-Backbone interact. energy: 1.151
local terms energy: -631.524392
where:
bonds (distance) C4'-P energy: -127.420
bonds (distance) P-C4' energy: -138.259
flat angles C4'-P-C4' energy: -145.550
flat angles P-C4'-P energy: -96.534
tors. eta vs tors. theta energy: -123.762
Dist. restrs. and SS energy: 3.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -1813.787857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.787857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.762588 (E_RNA)
where:
Base-Base interactions energy: -1223.705
where: short stacking energy: -507.215
Base-Backbone interact. energy: 0.463
local terms energy: -599.520224
where:
bonds (distance) C4'-P energy: -129.242
bonds (distance) P-C4' energy: -130.611
flat angles C4'-P-C4' energy: -125.331
flat angles P-C4'-P energy: -83.030
tors. eta vs tors. theta energy: -131.307
Dist. restrs. and SS energy: 8.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -2727.754352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.754352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.464677 (E_RNA)
where:
Base-Base interactions energy: -1858.298
where: short stacking energy: -807.032
Base-Backbone interact. energy: -3.899
local terms energy: -866.267076
where:
bonds (distance) C4'-P energy: -152.044
bonds (distance) P-C4' energy: -173.636
flat angles C4'-P-C4' energy: -195.887
flat angles P-C4'-P energy: -114.757
tors. eta vs tors. theta energy: -229.944
Dist. restrs. and SS energy: 0.710 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -2643.909137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.909137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.780885 (E_RNA)
where:
Base-Base interactions energy: -1806.558
where: short stacking energy: -781.288
Base-Backbone interact. energy: -0.681
local terms energy: -837.542053
where:
bonds (distance) C4'-P energy: -151.060
bonds (distance) P-C4' energy: -167.488
flat angles C4'-P-C4' energy: -178.159
flat angles P-C4'-P energy: -117.394
tors. eta vs tors. theta energy: -223.441
Dist. restrs. and SS energy: 0.872 (S_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: 40
Temperature: 1.000000
Total energy: -2456.290469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.290469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.469618 (E_RNA)
where:
Base-Base interactions energy: -1660.558
where: short stacking energy: -722.819
Base-Backbone interact. energy: -3.830
local terms energy: -795.081216
where:
bonds (distance) C4'-P energy: -160.315
bonds (distance) P-C4' energy: -152.109
flat angles C4'-P-C4' energy: -175.893
flat angles P-C4'-P energy: -110.810
tors. eta vs tors. theta energy: -195.954
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: 4, replica: 7
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -2361.837827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.837827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.842268 (E_RNA)
where:
Base-Base interactions energy: -1605.382
where: short stacking energy: -711.516
Base-Backbone interact. energy: -0.234
local terms energy: -759.226631
where:
bonds (distance) C4'-P energy: -138.085
bonds (distance) P-C4' energy: -141.376
flat angles C4'-P-C4' energy: -169.253
flat angles P-C4'-P energy: -110.693
tors. eta vs tors. theta energy: -199.820
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: 5, replica: 2
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -2257.038842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.038842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.777836 (E_RNA)
where:
Base-Base interactions energy: -1512.040
where: short stacking energy: -664.724
Base-Backbone interact. energy: 1.548
local terms energy: -748.286099
where:
bonds (distance) C4'-P energy: -141.658
bonds (distance) P-C4' energy: -151.059
flat angles C4'-P-C4' energy: -162.898
flat angles P-C4'-P energy: -107.713
tors. eta vs tors. theta energy: -184.957
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: 10
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -2182.251873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.251873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.015070 (E_RNA)
where:
Base-Base interactions energy: -1470.227
where: short stacking energy: -652.257
Base-Backbone interact. energy: 2.606
local terms energy: -716.394352
where:
bonds (distance) C4'-P energy: -144.336
bonds (distance) P-C4' energy: -143.802
flat angles C4'-P-C4' energy: -157.839
flat angles P-C4'-P energy: -90.987
tors. eta vs tors. theta energy: -179.431
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: 7, replica: 5
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -2062.878715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.878715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.653885 (E_RNA)
where:
Base-Base interactions energy: -1404.741
where: short stacking energy: -591.159
Base-Backbone interact. energy: -4.458
local terms energy: -655.454210
where:
bonds (distance) C4'-P energy: -123.043
bonds (distance) P-C4' energy: -130.556
flat angles C4'-P-C4' energy: -147.823
flat angles P-C4'-P energy: -96.490
tors. eta vs tors. theta energy: -157.541
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: 8, replica: 1
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -2002.126883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.126883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.837638 (E_RNA)
where:
Base-Base interactions energy: -1340.837
where: short stacking energy: -556.996
Base-Backbone interact. energy: -0.707
local terms energy: -665.293661
where:
bonds (distance) C4'-P energy: -141.469
bonds (distance) P-C4' energy: -133.210
flat angles C4'-P-C4' energy: -160.602
flat angles P-C4'-P energy: -98.598
tors. eta vs tors. theta energy: -131.414
Dist. restrs. and SS energy: 4.711 (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: 8
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -1920.585365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.585365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.939430 (E_RNA)
where:
Base-Base interactions energy: -1280.774
where: short stacking energy: -561.957
Base-Backbone interact. energy: -0.421
local terms energy: -645.744702
where:
bonds (distance) C4'-P energy: -130.107
bonds (distance) P-C4' energy: -143.815
flat angles C4'-P-C4' energy: -143.036
flat angles P-C4'-P energy: -86.120
tors. eta vs tors. theta energy: -142.667
Dist. restrs. and SS energy: 6.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -1790.244441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.244441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.662433 (E_RNA)
where:
Base-Base interactions energy: -1245.759
where: short stacking energy: -506.228
Base-Backbone interact. energy: 1.724
local terms energy: -553.626863
where:
bonds (distance) C4'-P energy: -111.541
bonds (distance) P-C4' energy: -133.998
flat angles C4'-P-C4' energy: -122.924
flat angles P-C4'-P energy: -75.340
tors. eta vs tors. theta energy: -109.823
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: 1, replica: 9
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -2739.041292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.041292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.643190 (E_RNA)
where:
Base-Base interactions energy: -1855.669
where: short stacking energy: -806.724
Base-Backbone interact. energy: -2.440
local terms energy: -882.534324
where:
bonds (distance) C4'-P energy: -162.078
bonds (distance) P-C4' energy: -172.412
flat angles C4'-P-C4' energy: -180.224
flat angles P-C4'-P energy: -126.258
tors. eta vs tors. theta energy: -241.562
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: 4
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -2638.026643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.026643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.725188 (E_RNA)
where:
Base-Base interactions energy: -1806.566
where: short stacking energy: -799.607
Base-Backbone interact. energy: 3.787
local terms energy: -836.945488
where:
bonds (distance) C4'-P energy: -154.888
bonds (distance) P-C4' energy: -157.322
flat angles C4'-P-C4' energy: -178.124
flat angles P-C4'-P energy: -121.945
tors. eta vs tors. theta energy: -224.667
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: 3, replica: 6
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -2438.593860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.593860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.826593 (E_RNA)
where:
Base-Base interactions energy: -1659.888
where: short stacking energy: -740.243
Base-Backbone interact. energy: 0.083
local terms energy: -780.021740
where:
bonds (distance) C4'-P energy: -157.395
bonds (distance) P-C4' energy: -146.045
flat angles C4'-P-C4' energy: -166.097
flat angles P-C4'-P energy: -114.110
tors. eta vs tors. theta energy: -196.376
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: 7
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -2382.387378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.387378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.140893 (E_RNA)
where:
Base-Base interactions energy: -1597.680
where: short stacking energy: -700.278
Base-Backbone interact. energy: -1.832
local terms energy: -785.628005
where:
bonds (distance) C4'-P energy: -153.914
bonds (distance) P-C4' energy: -145.460
flat angles C4'-P-C4' energy: -161.248
flat angles P-C4'-P energy: -119.592
tors. eta vs tors. theta energy: -205.413
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: 5, replica: 2
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -2279.565729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.565729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.186393 (E_RNA)
where:
Base-Base interactions energy: -1532.708
where: short stacking energy: -674.356
Base-Backbone interact. energy: -1.581
local terms energy: -746.897111
where:
bonds (distance) C4'-P energy: -118.212
bonds (distance) P-C4' energy: -138.564
flat angles C4'-P-C4' energy: -167.415
flat angles P-C4'-P energy: -122.175
tors. eta vs tors. theta energy: -200.531
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: 6, replica: 10
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -2237.874531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.874531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.352128 (E_RNA)
where:
Base-Base interactions energy: -1497.950
where: short stacking energy: -661.590
Base-Backbone interact. energy: 0.090
local terms energy: -742.492469
where:
bonds (distance) C4'-P energy: -138.256
bonds (distance) P-C4' energy: -140.358
flat angles C4'-P-C4' energy: -166.307
flat angles P-C4'-P energy: -103.203
tors. eta vs tors. theta energy: -194.369
Dist. restrs. and SS energy: 2.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -2078.003334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.003334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.658609 (E_RNA)
where:
Base-Base interactions energy: -1389.924
where: short stacking energy: -604.047
Base-Backbone interact. energy: 3.685
local terms energy: -694.419573
where:
bonds (distance) C4'-P energy: -141.818
bonds (distance) P-C4' energy: -129.518
flat angles C4'-P-C4' energy: -166.218
flat angles P-C4'-P energy: -88.533
tors. eta vs tors. theta energy: -168.332
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: 1
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -2010.964177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.964177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.014772 (E_RNA)
where:
Base-Base interactions energy: -1339.234
where: short stacking energy: -594.468
Base-Backbone interact. energy: 4.029
local terms energy: -681.809596
where:
bonds (distance) C4'-P energy: -141.801
bonds (distance) P-C4' energy: -121.237
flat angles C4'-P-C4' energy: -155.898
flat angles P-C4'-P energy: -94.338
tors. eta vs tors. theta energy: -168.537
Dist. restrs. and SS energy: 6.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -1956.938087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.938087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.655310 (E_RNA)
where:
Base-Base interactions energy: -1319.407
where: short stacking energy: -571.079
Base-Backbone interact. energy: -1.457
local terms energy: -641.791030
where:
bonds (distance) C4'-P energy: -136.654
bonds (distance) P-C4' energy: -118.332
flat angles C4'-P-C4' energy: -144.089
flat angles P-C4'-P energy: -88.447
tors. eta vs tors. theta energy: -154.269
Dist. restrs. and SS energy: 5.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -1790.150323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.150323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.049385 (E_RNA)
where:
Base-Base interactions energy: -1215.489
where: short stacking energy: -508.793
Base-Backbone interact. energy: 1.565
local terms energy: -584.125451
where:
bonds (distance) C4'-P energy: -136.725
bonds (distance) P-C4' energy: -124.850
flat angles C4'-P-C4' energy: -126.609
flat angles P-C4'-P energy: -75.231
tors. eta vs tors. theta energy: -120.710
Dist. restrs. and SS energy: 7.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -2728.759927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.759927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.888937 (E_RNA)
where:
Base-Base interactions energy: -1855.687
where: short stacking energy: -800.829
Base-Backbone interact. energy: -5.065
local terms energy: -869.137797
where:
bonds (distance) C4'-P energy: -160.881
bonds (distance) P-C4' energy: -175.270
flat angles C4'-P-C4' energy: -184.488
flat angles P-C4'-P energy: -122.422
tors. eta vs tors. theta energy: -226.076
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: 2, replica: 4
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -2624.704589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.704589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.443554 (E_RNA)
where:
Base-Base interactions energy: -1772.298
where: short stacking energy: -778.818
Base-Backbone interact. energy: -3.324
local terms energy: -849.821364
where:
bonds (distance) C4'-P energy: -156.474
bonds (distance) P-C4' energy: -160.758
flat angles C4'-P-C4' energy: -185.996
flat angles P-C4'-P energy: -134.181
tors. eta vs tors. theta energy: -212.411
Dist. restrs. and SS energy: 0.739 (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: 6
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -2461.486854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.486854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.955608 (E_RNA)
where:
Base-Base interactions energy: -1687.268
where: short stacking energy: -739.467
Base-Backbone interact. energy: -3.305
local terms energy: -772.382430
where:
bonds (distance) C4'-P energy: -143.701
bonds (distance) P-C4' energy: -137.686
flat angles C4'-P-C4' energy: -177.892
flat angles P-C4'-P energy: -104.885
tors. eta vs tors. theta energy: -208.218
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: 7
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -2347.050401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.050401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.377478 (E_RNA)
where:
Base-Base interactions energy: -1563.516
where: short stacking energy: -710.141
Base-Backbone interact. energy: -3.342
local terms energy: -783.519390
where:
bonds (distance) C4'-P energy: -132.227
bonds (distance) P-C4' energy: -160.697
flat angles C4'-P-C4' energy: -166.173
flat angles P-C4'-P energy: -131.499
tors. eta vs tors. theta energy: -192.924
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: 5, replica: 2
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -2296.210255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.210255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.445143 (E_RNA)
where:
Base-Base interactions energy: -1546.608
where: short stacking energy: -688.786
Base-Backbone interact. energy: -4.253
local terms energy: -748.583690
where:
bonds (distance) C4'-P energy: -126.596
bonds (distance) P-C4' energy: -142.335
flat angles C4'-P-C4' energy: -177.447
flat angles P-C4'-P energy: -107.503
tors. eta vs tors. theta energy: -194.703
Dist. restrs. and SS energy: 3.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -2225.984742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.984742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.309670 (E_RNA)
where:
Base-Base interactions energy: -1516.237
where: short stacking energy: -630.163
Base-Backbone interact. energy: 3.008
local terms energy: -716.080812
where:
bonds (distance) C4'-P energy: -150.508
bonds (distance) P-C4' energy: -139.675
flat angles C4'-P-C4' energy: -160.756
flat angles P-C4'-P energy: -86.525
tors. eta vs tors. theta energy: -178.616
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: 7, replica: 5
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -2103.877541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.877541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.982679 (E_RNA)
where:
Base-Base interactions energy: -1401.308
where: short stacking energy: -605.163
Base-Backbone interact. energy: 4.201
local terms energy: -708.875603
where:
bonds (distance) C4'-P energy: -129.052
bonds (distance) P-C4' energy: -150.367
flat angles C4'-P-C4' energy: -170.060
flat angles P-C4'-P energy: -100.368
tors. eta vs tors. theta energy: -159.029
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: 8, replica: 1
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -2031.206290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.206290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.024544 (E_RNA)
where:
Base-Base interactions energy: -1363.970
where: short stacking energy: -591.868
Base-Backbone interact. energy: 4.618
local terms energy: -673.672224
where:
bonds (distance) C4'-P energy: -144.883
bonds (distance) P-C4' energy: -122.880
flat angles C4'-P-C4' energy: -148.698
flat angles P-C4'-P energy: -103.174
tors. eta vs tors. theta energy: -154.038
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: 9, replica: 3
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -1851.384690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.384690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.284155 (E_RNA)
where:
Base-Base interactions energy: -1261.306
where: short stacking energy: -519.092
Base-Backbone interact. energy: -0.672
local terms energy: -593.305715
where:
bonds (distance) C4'-P energy: -92.316
bonds (distance) P-C4' energy: -135.891
flat angles C4'-P-C4' energy: -133.818
flat angles P-C4'-P energy: -87.613
tors. eta vs tors. theta energy: -143.668
Dist. restrs. and SS energy: 3.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -1829.707688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.707688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.988727 (E_RNA)
where:
Base-Base interactions energy: -1248.152
where: short stacking energy: -514.399
Base-Backbone interact. energy: -0.574
local terms energy: -585.262674
where:
bonds (distance) C4'-P energy: -119.081
bonds (distance) P-C4' energy: -132.531
flat angles C4'-P-C4' energy: -124.203
flat angles P-C4'-P energy: -77.684
tors. eta vs tors. theta energy: -131.763
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: 1, replica: 9
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -2714.861081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.861081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.697288 (E_RNA)
where:
Base-Base interactions energy: -1858.741
where: short stacking energy: -793.096
Base-Backbone interact. energy: 2.260
local terms energy: -861.216885
where:
bonds (distance) C4'-P energy: -160.698
bonds (distance) P-C4' energy: -155.065
flat angles C4'-P-C4' energy: -177.476
flat angles P-C4'-P energy: -131.131
tors. eta vs tors. theta energy: -236.848
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: 2, replica: 4
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -2663.658160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.658160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.337275 (E_RNA)
where:
Base-Base interactions energy: -1818.789
where: short stacking energy: -802.405
Base-Backbone interact. energy: 0.921
local terms energy: -847.469355
where:
bonds (distance) C4'-P energy: -155.119
bonds (distance) P-C4' energy: -170.041
flat angles C4'-P-C4' energy: -170.965
flat angles P-C4'-P energy: -120.026
tors. eta vs tors. theta energy: -231.318
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: 3, replica: 6
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -2423.497470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.497470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.006812 (E_RNA)
where:
Base-Base interactions energy: -1649.534
where: short stacking energy: -750.835
Base-Backbone interact. energy: 0.373
local terms energy: -775.845937
where:
bonds (distance) C4'-P energy: -152.888
bonds (distance) P-C4' energy: -156.624
flat angles C4'-P-C4' energy: -167.118
flat angles P-C4'-P energy: -101.026
tors. eta vs tors. theta energy: -198.191
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: 2
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -2340.963795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.963795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.571101 (E_RNA)
where:
Base-Base interactions energy: -1542.135
where: short stacking energy: -690.925
Base-Backbone interact. energy: -1.312
local terms energy: -800.123759
where:
bonds (distance) C4'-P energy: -160.306
bonds (distance) P-C4' energy: -154.784
flat angles C4'-P-C4' energy: -180.440
flat angles P-C4'-P energy: -117.304
tors. eta vs tors. theta energy: -187.290
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: 5, replica: 7
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -2297.057010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.057010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.044449 (E_RNA)
where:
Base-Base interactions energy: -1523.866
where: short stacking energy: -667.504
Base-Backbone interact. energy: -1.928
local terms energy: -773.250797
where:
bonds (distance) C4'-P energy: -146.455
bonds (distance) P-C4' energy: -136.638
flat angles C4'-P-C4' energy: -170.470
flat angles P-C4'-P energy: -114.927
tors. eta vs tors. theta energy: -204.762
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: 6, replica: 5
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -2118.440603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.440603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.647545 (E_RNA)
where:
Base-Base interactions energy: -1424.208
where: short stacking energy: -612.185
Base-Backbone interact. energy: -1.044
local terms energy: -695.395288
where:
bonds (distance) C4'-P energy: -137.033
bonds (distance) P-C4' energy: -144.667
flat angles C4'-P-C4' energy: -151.164
flat angles P-C4'-P energy: -101.564
tors. eta vs tors. theta energy: -160.967
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: 7, replica: 10
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -2112.325374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.325374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.345238 (E_RNA)
where:
Base-Base interactions energy: -1429.687
where: short stacking energy: -614.349
Base-Backbone interact. energy: -3.539
local terms energy: -682.118968
where:
bonds (distance) C4'-P energy: -112.883
bonds (distance) P-C4' energy: -147.182
flat angles C4'-P-C4' energy: -153.805
flat angles P-C4'-P energy: -88.035
tors. eta vs tors. theta energy: -180.215
Dist. restrs. and SS energy: 3.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -1995.233134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.233134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.058949 (E_RNA)
where:
Base-Base interactions energy: -1356.824
where: short stacking energy: -568.906
Base-Backbone interact. energy: 0.028
local terms energy: -642.263024
where:
bonds (distance) C4'-P energy: -133.622
bonds (distance) P-C4' energy: -131.507
flat angles C4'-P-C4' energy: -135.051
flat angles P-C4'-P energy: -103.265
tors. eta vs tors. theta energy: -138.819
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: 9, replica: 3
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -1891.645187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.645187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.562903 (E_RNA)
where:
Base-Base interactions energy: -1254.485
where: short stacking energy: -532.906
Base-Backbone interact. energy: 1.857
local terms energy: -644.935574
where:
bonds (distance) C4'-P energy: -145.563
bonds (distance) P-C4' energy: -120.195
flat angles C4'-P-C4' energy: -156.670
flat angles P-C4'-P energy: -77.249
tors. eta vs tors. theta energy: -145.259
Dist. restrs. and SS energy: 5.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -1838.072114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.072114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.702707 (E_RNA)
where:
Base-Base interactions energy: -1246.724
where: short stacking energy: -524.262
Base-Backbone interact. energy: -4.271
local terms energy: -594.707432
where:
bonds (distance) C4'-P energy: -111.515
bonds (distance) P-C4' energy: -120.459
flat angles C4'-P-C4' energy: -139.717
flat angles P-C4'-P energy: -83.979
tors. eta vs tors. theta energy: -139.038
Dist. restrs. and SS energy: 7.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -2740.099431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.099431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2741.907706 (E_RNA)
where:
Base-Base interactions energy: -1879.022
where: short stacking energy: -801.834
Base-Backbone interact. energy: -1.636
local terms energy: -861.249575
where:
bonds (distance) C4'-P energy: -160.305
bonds (distance) P-C4' energy: -180.479
flat angles C4'-P-C4' energy: -183.974
flat angles P-C4'-P energy: -114.039
tors. eta vs tors. theta energy: -222.453
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: 2, replica: 4
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -2645.769088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.769088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.775129 (E_RNA)
where:
Base-Base interactions energy: -1809.103
where: short stacking energy: -790.335
Base-Backbone interact. energy: -0.583
local terms energy: -837.088852
where:
bonds (distance) C4'-P energy: -149.805
bonds (distance) P-C4' energy: -168.836
flat angles C4'-P-C4' energy: -174.912
flat angles P-C4'-P energy: -106.814
tors. eta vs tors. theta energy: -236.721
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: 6
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -2435.842498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.842498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.737348 (E_RNA)
where:
Base-Base interactions energy: -1648.976
where: short stacking energy: -718.425
Base-Backbone interact. energy: -3.412
local terms energy: -784.348732
where:
bonds (distance) C4'-P energy: -145.945
bonds (distance) P-C4' energy: -157.966
flat angles C4'-P-C4' energy: -185.021
flat angles P-C4'-P energy: -102.234
tors. eta vs tors. theta energy: -193.183
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: 4, replica: 2
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -2337.174657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.174657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.706793 (E_RNA)
where:
Base-Base interactions energy: -1546.851
where: short stacking energy: -675.187
Base-Backbone interact. energy: 1.471
local terms energy: -794.326622
where:
bonds (distance) C4'-P energy: -155.289
bonds (distance) P-C4' energy: -161.027
flat angles C4'-P-C4' energy: -164.002
flat angles P-C4'-P energy: -121.823
tors. eta vs tors. theta energy: -192.186
Dist. restrs. and SS energy: 2.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -2235.230490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.230490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.645070 (E_RNA)
where:
Base-Base interactions energy: -1512.748
where: short stacking energy: -666.417
Base-Backbone interact. energy: -3.170
local terms energy: -721.726286
where:
bonds (distance) C4'-P energy: -125.121
bonds (distance) P-C4' energy: -147.192
flat angles C4'-P-C4' energy: -173.663
flat angles P-C4'-P energy: -93.985
tors. eta vs tors. theta energy: -181.766
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: 6, replica: 5
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -2167.603136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.603136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.170818 (E_RNA)
where:
Base-Base interactions energy: -1451.681
where: short stacking energy: -618.705
Base-Backbone interact. energy: -2.662
local terms energy: -714.828013
where:
bonds (distance) C4'-P energy: -126.363
bonds (distance) P-C4' energy: -156.626
flat angles C4'-P-C4' energy: -160.243
flat angles P-C4'-P energy: -101.399
tors. eta vs tors. theta energy: -170.197
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: 7, replica: 10
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -2091.625943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.625943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.776971 (E_RNA)
where:
Base-Base interactions energy: -1419.830
where: short stacking energy: -627.215
Base-Backbone interact. energy: 2.710
local terms energy: -676.656616
where:
bonds (distance) C4'-P energy: -121.653
bonds (distance) P-C4' energy: -141.320
flat angles C4'-P-C4' energy: -144.391
flat angles P-C4'-P energy: -94.695
tors. eta vs tors. theta energy: -174.597
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: 8, replica: 1
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -2035.430162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.430162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.344757 (E_RNA)
where:
Base-Base interactions energy: -1373.782
where: short stacking energy: -587.509
Base-Backbone interact. energy: 4.882
local terms energy: -669.444495
where:
bonds (distance) C4'-P energy: -118.285
bonds (distance) P-C4' energy: -130.733
flat angles C4'-P-C4' energy: -161.259
flat angles P-C4'-P energy: -103.534
tors. eta vs tors. theta energy: -155.633
Dist. restrs. and SS energy: 2.915 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -1934.093252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.093252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.132201 (E_RNA)
where:
Base-Base interactions energy: -1314.002
where: short stacking energy: -548.804
Base-Backbone interact. energy: -1.528
local terms energy: -622.602185
where:
bonds (distance) C4'-P energy: -132.254
bonds (distance) P-C4' energy: -146.413
flat angles C4'-P-C4' energy: -136.348
flat angles P-C4'-P energy: -85.082
tors. eta vs tors. theta energy: -122.505
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: 10, replica: 3
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -1843.751862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.751862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.335471 (E_RNA)
where:
Base-Base interactions energy: -1243.867
where: short stacking energy: -510.807
Base-Backbone interact. energy: 1.475
local terms energy: -603.943025
where:
bonds (distance) C4'-P energy: -128.448
bonds (distance) P-C4' energy: -127.658
flat angles C4'-P-C4' energy: -138.663
flat angles P-C4'-P energy: -81.374
tors. eta vs tors. theta energy: -127.800
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: 45
Temperature: 0.900000
Total energy: -2790.532325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.532325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.053325 (E_RNA)
where:
Base-Base interactions energy: -1920.338
where: short stacking energy: -829.455
Base-Backbone interact. energy: -1.728
local terms energy: -869.987875
where:
bonds (distance) C4'-P energy: -161.730
bonds (distance) P-C4' energy: -152.506
flat angles C4'-P-C4' energy: -192.148
flat angles P-C4'-P energy: -131.108
tors. eta vs tors. theta energy: -232.496
Dist. restrs. and SS energy: 1.521 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -2623.704122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.704122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.393996 (E_RNA)
where:
Base-Base interactions energy: -1791.691
where: short stacking energy: -770.024
Base-Backbone interact. energy: 1.713
local terms energy: -835.415647
where:
bonds (distance) C4'-P energy: -154.442
bonds (distance) P-C4' energy: -155.828
flat angles C4'-P-C4' energy: -174.107
flat angles P-C4'-P energy: -128.936
tors. eta vs tors. theta energy: -222.103
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: 3, replica: 6
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -2469.350162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.350162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.325970 (E_RNA)
where:
Base-Base interactions energy: -1662.900
where: short stacking energy: -700.325
Base-Backbone interact. energy: -3.641
local terms energy: -803.784051
where:
bonds (distance) C4'-P energy: -156.016
bonds (distance) P-C4' energy: -153.328
flat angles C4'-P-C4' energy: -181.329
flat angles P-C4'-P energy: -114.665
tors. eta vs tors. theta energy: -198.446
Dist. restrs. and SS energy: 0.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -2355.739265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.739265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.545988 (E_RNA)
where:
Base-Base interactions energy: -1578.933
where: short stacking energy: -682.092
Base-Backbone interact. energy: -1.640
local terms energy: -777.972900
where:
bonds (distance) C4'-P energy: -147.333
bonds (distance) P-C4' energy: -154.736
flat angles C4'-P-C4' energy: -175.456
flat angles P-C4'-P energy: -108.182
tors. eta vs tors. theta energy: -192.266
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: 5, replica: 7
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -2282.836539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.836539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.985087 (E_RNA)
where:
Base-Base interactions energy: -1540.291
where: short stacking energy: -652.108
Base-Backbone interact. energy: -1.134
local terms energy: -742.559870
where:
bonds (distance) C4'-P energy: -131.749
bonds (distance) P-C4' energy: -157.732
flat angles C4'-P-C4' energy: -169.186
flat angles P-C4'-P energy: -101.285
tors. eta vs tors. theta energy: -182.609
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: 6, replica: 10
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -2182.639330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.639330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.809907 (E_RNA)
where:
Base-Base interactions energy: -1481.401
where: short stacking energy: -628.545
Base-Backbone interact. energy: -2.764
local terms energy: -699.644844
where:
bonds (distance) C4'-P energy: -137.007
bonds (distance) P-C4' energy: -149.236
flat angles C4'-P-C4' energy: -147.725
flat angles P-C4'-P energy: -95.392
tors. eta vs tors. theta energy: -170.285
Dist. restrs. and SS energy: 1.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -2031.796450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.796450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.508837 (E_RNA)
where:
Base-Base interactions energy: -1366.400
where: short stacking energy: -577.059
Base-Backbone interact. energy: -0.736
local terms energy: -668.372864
where:
bonds (distance) C4'-P energy: -136.481
bonds (distance) P-C4' energy: -137.390
flat angles C4'-P-C4' energy: -159.056
flat angles P-C4'-P energy: -90.193
tors. eta vs tors. theta energy: -145.252
Dist. restrs. and SS energy: 3.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -2023.827142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.827142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.249790 (E_RNA)
where:
Base-Base interactions energy: -1358.704
where: short stacking energy: -585.097
Base-Backbone interact. energy: -2.273
local terms energy: -667.272269
where:
bonds (distance) C4'-P energy: -149.854
bonds (distance) P-C4' energy: -125.941
flat angles C4'-P-C4' energy: -150.041
flat angles P-C4'-P energy: -91.341
tors. eta vs tors. theta energy: -150.096
Dist. restrs. and SS energy: 4.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -1919.273662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.273662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.522899 (E_RNA)
where:
Base-Base interactions energy: -1288.282
where: short stacking energy: -547.986
Base-Backbone interact. energy: -3.826
local terms energy: -632.414897
where:
bonds (distance) C4'-P energy: -116.700
bonds (distance) P-C4' energy: -143.173
flat angles C4'-P-C4' energy: -143.444
flat angles P-C4'-P energy: -85.958
tors. eta vs tors. theta energy: -143.140
Dist. restrs. and SS energy: 5.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -1776.043957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.043957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.722228 (E_RNA)
where:
Base-Base interactions energy: -1199.753
where: short stacking energy: -485.619
Base-Backbone interact. energy: -3.113
local terms energy: -577.856891
where:
bonds (distance) C4'-P energy: -126.118
bonds (distance) P-C4' energy: -127.562
flat angles C4'-P-C4' energy: -123.394
flat angles P-C4'-P energy: -86.740
tors. eta vs tors. theta energy: -114.043
Dist. restrs. and SS energy: 4.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -2766.058104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.058104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.903283 (E_RNA)
where:
Base-Base interactions energy: -1894.786
where: short stacking energy: -814.380
Base-Backbone interact. energy: 0.196
local terms energy: -872.313206
where:
bonds (distance) C4'-P energy: -171.715
bonds (distance) P-C4' energy: -145.049
flat angles C4'-P-C4' energy: -186.594
flat angles P-C4'-P energy: -131.683
tors. eta vs tors. theta energy: -237.272
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: 2, replica: 4
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -2641.648938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.648938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.211072 (E_RNA)
where:
Base-Base interactions energy: -1824.448
where: short stacking energy: -774.649
Base-Backbone interact. energy: -2.112
local terms energy: -816.651757
where:
bonds (distance) C4'-P energy: -146.375
bonds (distance) P-C4' energy: -144.137
flat angles C4'-P-C4' energy: -177.332
flat angles P-C4'-P energy: -116.565
tors. eta vs tors. theta energy: -232.242
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: 6
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -2496.389128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.389128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.071582 (E_RNA)
where:
Base-Base interactions energy: -1684.481
where: short stacking energy: -761.611
Base-Backbone interact. energy: -0.445
local terms energy: -814.145273
where:
bonds (distance) C4'-P energy: -162.647
bonds (distance) P-C4' energy: -144.007
flat angles C4'-P-C4' energy: -186.481
flat angles P-C4'-P energy: -112.757
tors. eta vs tors. theta energy: -208.252
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: 2
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -2419.119015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.119015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.036453 (E_RNA)
where:
Base-Base interactions energy: -1594.683
where: short stacking energy: -727.775
Base-Backbone interact. energy: -0.891
local terms energy: -826.462532
where:
bonds (distance) C4'-P energy: -146.594
bonds (distance) P-C4' energy: -163.832
flat angles C4'-P-C4' energy: -173.300
flat angles P-C4'-P energy: -123.548
tors. eta vs tors. theta energy: -219.189
Dist. restrs. and SS energy: 2.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -2306.607902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.607902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.501913 (E_RNA)
where:
Base-Base interactions energy: -1538.634
where: short stacking energy: -657.918
Base-Backbone interact. energy: -3.696
local terms energy: -766.171556
where:
bonds (distance) C4'-P energy: -152.122
bonds (distance) P-C4' energy: -141.634
flat angles C4'-P-C4' energy: -164.420
flat angles P-C4'-P energy: -120.695
tors. eta vs tors. theta energy: -187.300
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: 10
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -2224.258271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.258271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.557000 (E_RNA)
where:
Base-Base interactions energy: -1483.055
where: short stacking energy: -627.276
Base-Backbone interact. energy: 2.467
local terms energy: -745.968652
where:
bonds (distance) C4'-P energy: -141.251
bonds (distance) P-C4' energy: -161.457
flat angles C4'-P-C4' energy: -156.492
flat angles P-C4'-P energy: -105.677
tors. eta vs tors. theta energy: -181.091
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: 7, replica: 1
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -2097.526031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.526031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.771951 (E_RNA)
where:
Base-Base interactions energy: -1391.596
where: short stacking energy: -610.291
Base-Backbone interact. energy: -2.725
local terms energy: -706.451641
where:
bonds (distance) C4'-P energy: -143.270
bonds (distance) P-C4' energy: -136.651
flat angles C4'-P-C4' energy: -160.009
flat angles P-C4'-P energy: -102.298
tors. eta vs tors. theta energy: -164.224
Dist. restrs. and SS energy: 3.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -1984.213367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.213367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.575313 (E_RNA)
where:
Base-Base interactions energy: -1352.156
where: short stacking energy: -575.002
Base-Backbone interact. energy: 4.367
local terms energy: -638.785762
where:
bonds (distance) C4'-P energy: -125.422
bonds (distance) P-C4' energy: -137.758
flat angles C4'-P-C4' energy: -141.490
flat angles P-C4'-P energy: -93.010
tors. eta vs tors. theta energy: -141.105
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: 9, replica: 8
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -1955.090051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.090051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.533511 (E_RNA)
where:
Base-Base interactions energy: -1322.449
where: short stacking energy: -556.427
Base-Backbone interact. energy: 2.443
local terms energy: -638.527360
where:
bonds (distance) C4'-P energy: -124.570
bonds (distance) P-C4' energy: -135.047
flat angles C4'-P-C4' energy: -147.595
flat angles P-C4'-P energy: -94.710
tors. eta vs tors. theta energy: -136.605
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: 10, replica: 3
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -1765.779634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.779634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.199096 (E_RNA)
where:
Base-Base interactions energy: -1182.061
where: short stacking energy: -476.203
Base-Backbone interact. energy: 0.000
local terms energy: -587.137856
where:
bonds (distance) C4'-P energy: -119.385
bonds (distance) P-C4' energy: -126.205
flat angles C4'-P-C4' energy: -136.114
flat angles P-C4'-P energy: -80.792
tors. eta vs tors. theta energy: -124.642
Dist. restrs. and SS energy: 3.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -2780.038035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.038035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.624189 (E_RNA)
where:
Base-Base interactions energy: -1912.658
where: short stacking energy: -828.392
Base-Backbone interact. energy: -1.788
local terms energy: -867.178166
where:
bonds (distance) C4'-P energy: -153.563
bonds (distance) P-C4' energy: -164.476
flat angles C4'-P-C4' energy: -183.360
flat angles P-C4'-P energy: -125.767
tors. eta vs tors. theta energy: -240.012
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: 2, replica: 4
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -2622.934876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.934876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.417222 (E_RNA)
where:
Base-Base interactions energy: -1780.477
where: short stacking energy: -758.274
Base-Backbone interact. energy: 2.188
local terms energy: -846.128005
where:
bonds (distance) C4'-P energy: -157.330
bonds (distance) P-C4' energy: -160.851
flat angles C4'-P-C4' energy: -187.652
flat angles P-C4'-P energy: -122.062
tors. eta vs tors. theta energy: -218.233
Dist. restrs. and SS energy: 1.482 (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: 6
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -2514.571703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.571703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.638997 (E_RNA)
where:
Base-Base interactions energy: -1713.959
where: short stacking energy: -760.953
Base-Backbone interact. energy: -2.281
local terms energy: -800.399138
where:
bonds (distance) C4'-P energy: -152.395
bonds (distance) P-C4' energy: -151.642
flat angles C4'-P-C4' energy: -176.666
flat angles P-C4'-P energy: -105.465
tors. eta vs tors. theta energy: -214.230
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: 4, replica: 2
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -2389.599309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.599309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.759871 (E_RNA)
where:
Base-Base interactions energy: -1606.208
where: short stacking energy: -721.721
Base-Backbone interact. energy: -1.606
local terms energy: -784.946112
where:
bonds (distance) C4'-P energy: -156.400
bonds (distance) P-C4' energy: -150.008
flat angles C4'-P-C4' energy: -171.413
flat angles P-C4'-P energy: -106.153
tors. eta vs tors. theta energy: -200.972
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: 5, replica: 7
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -2318.874814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.874814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.340169 (E_RNA)
where:
Base-Base interactions energy: -1603.353
where: short stacking energy: -690.318
Base-Backbone interact. energy: -0.422
local terms energy: -717.565169
where:
bonds (distance) C4'-P energy: -129.649
bonds (distance) P-C4' energy: -138.276
flat angles C4'-P-C4' energy: -161.627
flat angles P-C4'-P energy: -101.251
tors. eta vs tors. theta energy: -186.762
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: 6, replica: 10
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -2268.419062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.419062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.991370 (E_RNA)
where:
Base-Base interactions energy: -1544.630
where: short stacking energy: -664.447
Base-Backbone interact. energy: 3.369
local terms energy: -728.730660
where:
bonds (distance) C4'-P energy: -148.109
bonds (distance) P-C4' energy: -136.671
flat angles C4'-P-C4' energy: -154.394
flat angles P-C4'-P energy: -113.940
tors. eta vs tors. theta energy: -175.617
Dist. restrs. and SS energy: 1.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -2086.266912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.266912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.353164 (E_RNA)
where:
Base-Base interactions energy: -1420.648
where: short stacking energy: -603.038
Base-Backbone interact. energy: 1.700
local terms energy: -669.405300
where:
bonds (distance) C4'-P energy: -115.222
bonds (distance) P-C4' energy: -152.804
flat angles C4'-P-C4' energy: -140.339
flat angles P-C4'-P energy: -97.487
tors. eta vs tors. theta energy: -163.553
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: 8, replica: 5
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -2027.058731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.058731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.377252 (E_RNA)
where:
Base-Base interactions energy: -1426.922
where: short stacking energy: -601.632
Base-Backbone interact. energy: -1.768
local terms energy: -601.686760
where:
bonds (distance) C4'-P energy: -103.796
bonds (distance) P-C4' energy: -128.858
flat angles C4'-P-C4' energy: -134.121
flat angles P-C4'-P energy: -78.197
tors. eta vs tors. theta energy: -156.714
Dist. restrs. and SS energy: 3.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -1974.875453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.875453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.194176 (E_RNA)
where:
Base-Base interactions energy: -1322.869
where: short stacking energy: -553.299
Base-Backbone interact. energy: -3.771
local terms energy: -650.553711
where:
bonds (distance) C4'-P energy: -139.131
bonds (distance) P-C4' energy: -144.136
flat angles C4'-P-C4' energy: -143.250
flat angles P-C4'-P energy: -78.630
tors. eta vs tors. theta energy: -145.407
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: 10, replica: 3
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -1878.130738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.130738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.821875 (E_RNA)
where:
Base-Base interactions energy: -1280.921
where: short stacking energy: -531.239
Base-Backbone interact. energy: 3.281
local terms energy: -604.181951
where:
bonds (distance) C4'-P energy: -113.656
bonds (distance) P-C4' energy: -123.687
flat angles C4'-P-C4' energy: -133.203
flat angles P-C4'-P energy: -104.935
tors. eta vs tors. theta energy: -128.701
Dist. restrs. and SS energy: 3.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -2764.633574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.633574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.827142 (E_RNA)
where:
Base-Base interactions energy: -1887.176
where: short stacking energy: -827.925
Base-Backbone interact. energy: -0.729
local terms energy: -878.921715
where:
bonds (distance) C4'-P energy: -164.043
bonds (distance) P-C4' energy: -169.227
flat angles C4'-P-C4' energy: -190.143
flat angles P-C4'-P energy: -123.576
tors. eta vs tors. theta energy: -231.932
Dist. restrs. and SS energy: 2.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -2606.724967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.724967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.793738 (E_RNA)
where:
Base-Base interactions energy: -1777.905
where: short stacking energy: -760.230
Base-Backbone interact. energy: 0.852
local terms energy: -830.740948
where:
bonds (distance) C4'-P energy: -153.681
bonds (distance) P-C4' energy: -156.942
flat angles C4'-P-C4' energy: -190.910
flat angles P-C4'-P energy: -108.490
tors. eta vs tors. theta energy: -220.717
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: 3, replica: 6
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -2491.871644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.871644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.428371 (E_RNA)
where:
Base-Base interactions energy: -1708.050
where: short stacking energy: -738.496
Base-Backbone interact. energy: -2.960
local terms energy: -783.418107
where:
bonds (distance) C4'-P energy: -151.569
bonds (distance) P-C4' energy: -169.629
flat angles C4'-P-C4' energy: -173.952
flat angles P-C4'-P energy: -104.877
tors. eta vs tors. theta energy: -183.392
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: 4, replica: 2
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -2384.825922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.825922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.430542 (E_RNA)
where:
Base-Base interactions energy: -1589.401
where: short stacking energy: -695.218
Base-Backbone interact. energy: 1.447
local terms energy: -800.476444
where:
bonds (distance) C4'-P energy: -152.233
bonds (distance) P-C4' energy: -152.638
flat angles C4'-P-C4' energy: -165.358
flat angles P-C4'-P energy: -128.495
tors. eta vs tors. theta energy: -201.753
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: 5, replica: 7
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -2297.808227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.808227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.887379 (E_RNA)
where:
Base-Base interactions energy: -1561.530
where: short stacking energy: -683.294
Base-Backbone interact. energy: -1.327
local terms energy: -736.030246
where:
bonds (distance) C4'-P energy: -166.569
bonds (distance) P-C4' energy: -138.088
flat angles C4'-P-C4' energy: -149.706
flat angles P-C4'-P energy: -89.566
tors. eta vs tors. theta energy: -192.101
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: 10
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -2152.244810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.244810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.992934 (E_RNA)
where:
Base-Base interactions energy: -1456.327
where: short stacking energy: -618.958
Base-Backbone interact. energy: 1.617
local terms energy: -700.283693
where:
bonds (distance) C4'-P energy: -133.985
bonds (distance) P-C4' energy: -131.246
flat angles C4'-P-C4' energy: -161.045
flat angles P-C4'-P energy: -93.882
tors. eta vs tors. theta energy: -180.126
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: 7, replica: 1
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -2065.972140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.972140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.537461 (E_RNA)
where:
Base-Base interactions energy: -1358.555
where: short stacking energy: -587.938
Base-Backbone interact. energy: -2.213
local terms energy: -707.769604
where:
bonds (distance) C4'-P energy: -149.821
bonds (distance) P-C4' energy: -138.007
flat angles C4'-P-C4' energy: -158.594
flat angles P-C4'-P energy: -105.190
tors. eta vs tors. theta energy: -156.158
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: 5
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -1962.526244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.526244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.774259 (E_RNA)
where:
Base-Base interactions energy: -1308.499
where: short stacking energy: -552.503
Base-Backbone interact. energy: -2.792
local terms energy: -654.483380
where:
bonds (distance) C4'-P energy: -116.069
bonds (distance) P-C4' energy: -136.279
flat angles C4'-P-C4' energy: -141.352
flat angles P-C4'-P energy: -121.568
tors. eta vs tors. theta energy: -139.214
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: 9, replica: 8
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -1988.296020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.296020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.891199 (E_RNA)
where:
Base-Base interactions energy: -1376.308
where: short stacking energy: -573.744
Base-Backbone interact. energy: 3.765
local terms energy: -618.348763
where:
bonds (distance) C4'-P energy: -128.516
bonds (distance) P-C4' energy: -113.619
flat angles C4'-P-C4' energy: -152.820
flat angles P-C4'-P energy: -75.177
tors. eta vs tors. theta energy: -148.216
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: 3
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -1842.648307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.648307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.868044 (E_RNA)
where:
Base-Base interactions energy: -1269.925
where: short stacking energy: -533.348
Base-Backbone interact. energy: -4.575
local terms energy: -575.368162
where:
bonds (distance) C4'-P energy: -104.667
bonds (distance) P-C4' energy: -122.534
flat angles C4'-P-C4' energy: -129.681
flat angles P-C4'-P energy: -87.778
tors. eta vs tors. theta energy: -130.709
Dist. restrs. and SS energy: 7.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -2800.325336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.325336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.059160 (E_RNA)
where:
Base-Base interactions energy: -1903.922
where: short stacking energy: -824.201
Base-Backbone interact. energy: -4.969
local terms energy: -893.168350
where:
bonds (distance) C4'-P energy: -174.520
bonds (distance) P-C4' energy: -167.858
flat angles C4'-P-C4' energy: -192.014
flat angles P-C4'-P energy: -122.138
tors. eta vs tors. theta energy: -236.639
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: 2, replica: 4
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -2635.265350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.265350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.652699 (E_RNA)
where:
Base-Base interactions energy: -1814.893
where: short stacking energy: -796.149
Base-Backbone interact. energy: -4.888
local terms energy: -817.871865
where:
bonds (distance) C4'-P energy: -139.080
bonds (distance) P-C4' energy: -160.532
flat angles C4'-P-C4' energy: -183.661
flat angles P-C4'-P energy: -116.327
tors. eta vs tors. theta energy: -218.272
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: 3, replica: 6
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -2507.796548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.796548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.108984 (E_RNA)
where:
Base-Base interactions energy: -1701.202
where: short stacking energy: -736.306
Base-Backbone interact. energy: 2.740
local terms energy: -813.646543
where:
bonds (distance) C4'-P energy: -149.652
bonds (distance) P-C4' energy: -165.392
flat angles C4'-P-C4' energy: -173.255
flat angles P-C4'-P energy: -112.468
tors. eta vs tors. theta energy: -212.879
Dist. restrs. and SS energy: 4.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -2378.067872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.067872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.076073 (E_RNA)
where:
Base-Base interactions energy: -1614.582
where: short stacking energy: -697.448
Base-Backbone interact. energy: -1.514
local terms energy: -764.980193
where:
bonds (distance) C4'-P energy: -147.593
bonds (distance) P-C4' energy: -146.054
flat angles C4'-P-C4' energy: -175.472
flat angles P-C4'-P energy: -102.267
tors. eta vs tors. theta energy: -193.594
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: 5, replica: 7
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -2250.672576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.672576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.231984 (E_RNA)
where:
Base-Base interactions energy: -1552.696
where: short stacking energy: -663.440
Base-Backbone interact. energy: -1.091
local terms energy: -699.444981
where:
bonds (distance) C4'-P energy: -147.652
bonds (distance) P-C4' energy: -147.551
flat angles C4'-P-C4' energy: -151.387
flat angles P-C4'-P energy: -87.307
tors. eta vs tors. theta energy: -165.547
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: 6, replica: 10
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -2183.705917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.705917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.210253 (E_RNA)
where:
Base-Base interactions energy: -1489.228
where: short stacking energy: -638.032
Base-Backbone interact. energy: 1.821
local terms energy: -697.802679
where:
bonds (distance) C4'-P energy: -141.303
bonds (distance) P-C4' energy: -121.111
flat angles C4'-P-C4' energy: -174.465
flat angles P-C4'-P energy: -93.629
tors. eta vs tors. theta energy: -167.294
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: 7, replica: 1
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -2105.343459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.343459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.370453 (E_RNA)
where:
Base-Base interactions energy: -1436.825
where: short stacking energy: -599.349
Base-Backbone interact. energy: 1.502
local terms energy: -672.047054
where:
bonds (distance) C4'-P energy: -130.810
bonds (distance) P-C4' energy: -127.828
flat angles C4'-P-C4' energy: -155.352
flat angles P-C4'-P energy: -94.471
tors. eta vs tors. theta energy: -163.587
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: 8
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -2031.645362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.645362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.643019 (E_RNA)
where:
Base-Base interactions energy: -1406.447
where: short stacking energy: -566.412
Base-Backbone interact. energy: -2.563
local terms energy: -624.632628
where:
bonds (distance) C4'-P energy: -107.634
bonds (distance) P-C4' energy: -132.009
flat angles C4'-P-C4' energy: -135.863
flat angles P-C4'-P energy: -91.767
tors. eta vs tors. theta energy: -157.360
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: 9, replica: 5
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -1938.106735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.106735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.330667 (E_RNA)
where:
Base-Base interactions energy: -1310.172
where: short stacking energy: -539.743
Base-Backbone interact. energy: -0.719
local terms energy: -630.439001
where:
bonds (distance) C4'-P energy: -129.923
bonds (distance) P-C4' energy: -139.023
flat angles C4'-P-C4' energy: -139.787
flat angles P-C4'-P energy: -92.271
tors. eta vs tors. theta energy: -129.436
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: 10, replica: 3
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -1833.305212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.305212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.844708 (E_RNA)
where:
Base-Base interactions energy: -1227.256
where: short stacking energy: -509.056
Base-Backbone interact. energy: 2.153
local terms energy: -611.741844
where:
bonds (distance) C4'-P energy: -129.392
bonds (distance) P-C4' energy: -148.731
flat angles C4'-P-C4' energy: -140.152
flat angles P-C4'-P energy: -69.726
tors. eta vs tors. theta energy: -123.741
Dist. restrs. and SS energy: 3.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -2806.342676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.342676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.687963 (E_RNA)
where:
Base-Base interactions energy: -1937.593
where: short stacking energy: -839.398
Base-Backbone interact. energy: -2.935
local terms energy: -867.159238
where:
bonds (distance) C4'-P energy: -150.196
bonds (distance) P-C4' energy: -172.441
flat angles C4'-P-C4' energy: -184.813
flat angles P-C4'-P energy: -117.017
tors. eta vs tors. theta energy: -242.691
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: 2, replica: 4
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -2615.374545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.374545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.458222 (E_RNA)
where:
Base-Base interactions energy: -1781.791
where: short stacking energy: -769.240
Base-Backbone interact. energy: -2.323
local terms energy: -833.344665
where:
bonds (distance) C4'-P energy: -148.103
bonds (distance) P-C4' energy: -163.732
flat angles C4'-P-C4' energy: -173.556
flat angles P-C4'-P energy: -124.321
tors. eta vs tors. theta energy: -223.632
Dist. restrs. and SS energy: 2.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -2524.760248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.760248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.701532 (E_RNA)
where:
Base-Base interactions energy: -1724.033
where: short stacking energy: -733.118
Base-Backbone interact. energy: 1.206
local terms energy: -803.874129
where:
bonds (distance) C4'-P energy: -147.624
bonds (distance) P-C4' energy: -146.603
flat angles C4'-P-C4' energy: -183.550
flat angles P-C4'-P energy: -123.615
tors. eta vs tors. theta energy: -202.482
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: 4, replica: 2
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -2417.678838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.678838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.503818 (E_RNA)
where:
Base-Base interactions energy: -1625.710
where: short stacking energy: -685.825
Base-Backbone interact. energy: -1.280
local terms energy: -793.513965
where:
bonds (distance) C4'-P energy: -153.477
bonds (distance) P-C4' energy: -155.545
flat angles C4'-P-C4' energy: -162.237
flat angles P-C4'-P energy: -113.449
tors. eta vs tors. theta energy: -208.805
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: 50
Temperature: 1.100000
Total energy: -2330.668000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.668000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.187890 (E_RNA)
where:
Base-Base interactions energy: -1557.795
where: short stacking energy: -629.265
Base-Backbone interact. energy: 9.308
local terms energy: -783.701162
where:
bonds (distance) C4'-P energy: -168.155
bonds (distance) P-C4' energy: -142.724
flat angles C4'-P-C4' energy: -166.482
flat angles P-C4'-P energy: -115.468
tors. eta vs tors. theta energy: -190.873
Dist. restrs. and SS energy: 1.520 (S_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: 50
Temperature: 1.150000
Total energy: -2236.368920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.368920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.264604 (E_RNA)
where:
Base-Base interactions energy: -1480.812
where: short stacking energy: -638.283
Base-Backbone interact. energy: -4.762
local terms energy: -753.690118
where:
bonds (distance) C4'-P energy: -127.340
bonds (distance) P-C4' energy: -156.834
flat angles C4'-P-C4' energy: -169.232
flat angles P-C4'-P energy: -114.167
tors. eta vs tors. theta energy: -186.118
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: 7, replica: 1
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -2191.160617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.160617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.089759 (E_RNA)
where:
Base-Base interactions energy: -1481.519
where: short stacking energy: -675.658
Base-Backbone interact. energy: 0.383
local terms energy: -711.954132
where:
bonds (distance) C4'-P energy: -151.097
bonds (distance) P-C4' energy: -114.956
flat angles C4'-P-C4' energy: -171.816
flat angles P-C4'-P energy: -87.533
tors. eta vs tors. theta energy: -186.552
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: 8, replica: 8
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -1971.280205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.280205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.089961 (E_RNA)
where:
Base-Base interactions energy: -1296.232
where: short stacking energy: -549.499
Base-Backbone interact. energy: -1.490
local terms energy: -676.367965
where:
bonds (distance) C4'-P energy: -134.709
bonds (distance) P-C4' energy: -138.858
flat angles C4'-P-C4' energy: -147.791
flat angles P-C4'-P energy: -89.378
tors. eta vs tors. theta energy: -165.633
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: 9, replica: 3
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -1933.721794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.721794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.528351 (E_RNA)
where:
Base-Base interactions energy: -1313.526
where: short stacking energy: -551.467
Base-Backbone interact. energy: 3.864
local terms energy: -627.865579
where:
bonds (distance) C4'-P energy: -114.895
bonds (distance) P-C4' energy: -142.121
flat angles C4'-P-C4' energy: -161.343
flat angles P-C4'-P energy: -69.250
tors. eta vs tors. theta energy: -140.257
Dist. restrs. and SS energy: 3.807 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -1942.346980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.346980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.056532 (E_RNA)
where:
Base-Base interactions energy: -1309.390
where: short stacking energy: -559.126
Base-Backbone interact. energy: 0.885
local terms energy: -636.551293
where:
bonds (distance) C4'-P energy: -131.503
bonds (distance) P-C4' energy: -134.981
flat angles C4'-P-C4' energy: -141.205
flat angles P-C4'-P energy: -98.240
tors. eta vs tors. theta energy: -130.622
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: 1, replica: 9
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -2826.094935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2826.094935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.224189 (E_RNA)
where:
Base-Base interactions energy: -1933.275
where: short stacking energy: -830.430
Base-Backbone interact. energy: -2.974
local terms energy: -890.974576
where:
bonds (distance) C4'-P energy: -161.390
bonds (distance) P-C4' energy: -173.676
flat angles C4'-P-C4' energy: -197.960
flat angles P-C4'-P energy: -125.532
tors. eta vs tors. theta energy: -232.417
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: 2, replica: 4
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -2604.638347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.638347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.841574 (E_RNA)
where:
Base-Base interactions energy: -1799.895
where: short stacking energy: -760.060
Base-Backbone interact. energy: 2.399
local terms energy: -808.345277
where:
bonds (distance) C4'-P energy: -141.033
bonds (distance) P-C4' energy: -166.722
flat angles C4'-P-C4' energy: -171.445
flat angles P-C4'-P energy: -119.629
tors. eta vs tors. theta energy: -209.517
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: 3, replica: 6
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -2540.614735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.614735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.854213 (E_RNA)
where:
Base-Base interactions energy: -1722.753
where: short stacking energy: -743.907
Base-Backbone interact. energy: -3.915
local terms energy: -816.186222
where:
bonds (distance) C4'-P energy: -146.243
bonds (distance) P-C4' energy: -151.247
flat angles C4'-P-C4' energy: -176.521
flat angles P-C4'-P energy: -128.490
tors. eta vs tors. theta energy: -213.685
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: 4, replica: 2
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -2415.930982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.930982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.837456 (E_RNA)
where:
Base-Base interactions energy: -1620.988
where: short stacking energy: -709.669
Base-Backbone interact. energy: -2.188
local terms energy: -795.661725
where:
bonds (distance) C4'-P energy: -140.548
bonds (distance) P-C4' energy: -156.526
flat angles C4'-P-C4' energy: -177.741
flat angles P-C4'-P energy: -115.407
tors. eta vs tors. theta energy: -205.439
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: 5, replica: 7
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -2293.658851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.658851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.330178 (E_RNA)
where:
Base-Base interactions energy: -1559.473
where: short stacking energy: -676.554
Base-Backbone interact. energy: 1.410
local terms energy: -737.266749
where:
bonds (distance) C4'-P energy: -146.036
bonds (distance) P-C4' energy: -145.603
flat angles C4'-P-C4' energy: -137.097
flat angles P-C4'-P energy: -109.971
tors. eta vs tors. theta energy: -198.560
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: 6, replica: 10
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -2202.881641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.881641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.790078 (E_RNA)
where:
Base-Base interactions energy: -1450.650
where: short stacking energy: -636.620
Base-Backbone interact. energy: -0.951
local terms energy: -754.188166
where:
bonds (distance) C4'-P energy: -138.302
bonds (distance) P-C4' energy: -154.775
flat angles C4'-P-C4' energy: -180.197
flat angles P-C4'-P energy: -94.919
tors. eta vs tors. theta energy: -185.996
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: 7, replica: 1
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -2127.070598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.070598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.822767 (E_RNA)
where:
Base-Base interactions energy: -1442.115
where: short stacking energy: -602.031
Base-Backbone interact. energy: -0.171
local terms energy: -686.536608
where:
bonds (distance) C4'-P energy: -130.754
bonds (distance) P-C4' energy: -130.740
flat angles C4'-P-C4' energy: -149.596
flat angles P-C4'-P energy: -106.253
tors. eta vs tors. theta energy: -169.193
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: 8, replica: 8
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -1978.316077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.316077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.472556 (E_RNA)
where:
Base-Base interactions energy: -1340.196
where: short stacking energy: -596.948
Base-Backbone interact. energy: -0.801
local terms energy: -641.474598
where:
bonds (distance) C4'-P energy: -130.496
bonds (distance) P-C4' energy: -129.842
flat angles C4'-P-C4' energy: -150.359
flat angles P-C4'-P energy: -88.923
tors. eta vs tors. theta energy: -141.855
Dist. restrs. and SS energy: 4.156 (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: 3
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -1932.623692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.623692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.621924 (E_RNA)
where:
Base-Base interactions energy: -1312.113
where: short stacking energy: -569.212
Base-Backbone interact. energy: 2.594
local terms energy: -627.103633
where:
bonds (distance) C4'-P energy: -132.814
bonds (distance) P-C4' energy: -130.285
flat angles C4'-P-C4' energy: -152.697
flat angles P-C4'-P energy: -74.539
tors. eta vs tors. theta energy: -136.769
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: 10, replica: 5
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -1856.060383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.060383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.858510 (E_RNA)
where:
Base-Base interactions energy: -1286.381
where: short stacking energy: -540.677
Base-Backbone interact. energy: 0.563
local terms energy: -574.041109
where:
bonds (distance) C4'-P energy: -121.454
bonds (distance) P-C4' energy: -137.258
flat angles C4'-P-C4' energy: -127.553
flat angles P-C4'-P energy: -64.531
tors. eta vs tors. theta energy: -123.246
Dist. restrs. and SS energy: 3.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -2827.796951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.796951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.051284 (E_RNA)
where:
Base-Base interactions energy: -1940.237
where: short stacking energy: -803.930
Base-Backbone interact. energy: -0.992
local terms energy: -887.822082
where:
bonds (distance) C4'-P energy: -165.219
bonds (distance) P-C4' energy: -165.241
flat angles C4'-P-C4' energy: -177.287
flat angles P-C4'-P energy: -130.775
tors. eta vs tors. theta energy: -249.301
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: 52
Temperature: 0.950000
Total energy: -2631.863967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.863967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.404322 (E_RNA)
where:
Base-Base interactions energy: -1814.629
where: short stacking energy: -777.965
Base-Backbone interact. energy: 0.233
local terms energy: -819.007652
where:
bonds (distance) C4'-P energy: -142.847
bonds (distance) P-C4' energy: -149.804
flat angles C4'-P-C4' energy: -187.898
flat angles P-C4'-P energy: -113.651
tors. eta vs tors. theta energy: -224.808
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: 6
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -2533.802913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.802913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.333638 (E_RNA)
where:
Base-Base interactions energy: -1707.228
where: short stacking energy: -728.451
Base-Backbone interact. energy: -2.729
local terms energy: -826.376688
where:
bonds (distance) C4'-P energy: -158.714
bonds (distance) P-C4' energy: -163.214
flat angles C4'-P-C4' energy: -171.517
flat angles P-C4'-P energy: -116.588
tors. eta vs tors. theta energy: -216.344
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: 4, replica: 2
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -2412.174129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.174129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.663104 (E_RNA)
where:
Base-Base interactions energy: -1601.747
where: short stacking energy: -719.926
Base-Backbone interact. energy: -0.104
local terms energy: -819.811920
where:
bonds (distance) C4'-P energy: -170.842
bonds (distance) P-C4' energy: -158.512
flat angles C4'-P-C4' energy: -183.427
flat angles P-C4'-P energy: -109.500
tors. eta vs tors. theta energy: -197.531
Dist. restrs. and SS energy: 9.489 (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: 10
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -2286.862394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.862394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.262800 (E_RNA)
where:
Base-Base interactions energy: -1545.458
where: short stacking energy: -677.621
Base-Backbone interact. energy: -3.643
local terms energy: -739.161951
where:
bonds (distance) C4'-P energy: -126.843
bonds (distance) P-C4' energy: -165.754
flat angles C4'-P-C4' energy: -168.690
flat angles P-C4'-P energy: -103.560
tors. eta vs tors. theta energy: -174.315
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: 6, replica: 7
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -2261.858436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.858436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.642427 (E_RNA)
where:
Base-Base interactions energy: -1539.016
where: short stacking energy: -686.315
Base-Backbone interact. energy: -0.770
local terms energy: -723.856863
where:
bonds (distance) C4'-P energy: -132.423
bonds (distance) P-C4' energy: -132.733
flat angles C4'-P-C4' energy: -156.975
flat angles P-C4'-P energy: -111.859
tors. eta vs tors. theta energy: -189.867
Dist. restrs. and SS energy: 1.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -2120.347876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.347876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.487389 (E_RNA)
where:
Base-Base interactions energy: -1433.930
where: short stacking energy: -636.426
Base-Backbone interact. energy: -3.090
local terms energy: -685.467319
where:
bonds (distance) C4'-P energy: -142.807
bonds (distance) P-C4' energy: -136.174
flat angles C4'-P-C4' energy: -154.079
flat angles P-C4'-P energy: -92.578
tors. eta vs tors. theta energy: -159.829
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: 8, replica: 8
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -1963.015368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.015368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.671499 (E_RNA)
where:
Base-Base interactions energy: -1346.146
where: short stacking energy: -564.734
Base-Backbone interact. energy: 1.898
local terms energy: -621.423557
where:
bonds (distance) C4'-P energy: -124.519
bonds (distance) P-C4' energy: -127.993
flat angles C4'-P-C4' energy: -142.839
flat angles P-C4'-P energy: -77.041
tors. eta vs tors. theta energy: -149.031
Dist. restrs. and SS energy: 2.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -1920.872987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.872987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.342640 (E_RNA)
where:
Base-Base interactions energy: -1295.698
where: short stacking energy: -522.636
Base-Backbone interact. energy: -0.373
local terms energy: -629.271249
where:
bonds (distance) C4'-P energy: -140.599
bonds (distance) P-C4' energy: -124.979
flat angles C4'-P-C4' energy: -140.785
flat angles P-C4'-P energy: -77.059
tors. eta vs tors. theta energy: -145.849
Dist. restrs. and SS energy: 4.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -1837.365214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.365214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.502937 (E_RNA)
where:
Base-Base interactions energy: -1266.374
where: short stacking energy: -537.417
Base-Backbone interact. energy: -1.933
local terms energy: -572.195559
where:
bonds (distance) C4'-P energy: -110.576
bonds (distance) P-C4' energy: -127.213
flat angles C4'-P-C4' energy: -124.561
flat angles P-C4'-P energy: -76.939
tors. eta vs tors. theta energy: -132.906
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: 1, replica: 9
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -2825.744349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.744349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.008673 (E_RNA)
where:
Base-Base interactions energy: -1950.019
where: short stacking energy: -828.896
Base-Backbone interact. energy: -1.248
local terms energy: -875.741818
where:
bonds (distance) C4'-P energy: -162.252
bonds (distance) P-C4' energy: -168.368
flat angles C4'-P-C4' energy: -177.576
flat angles P-C4'-P energy: -125.401
tors. eta vs tors. theta energy: -242.144
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: 2, replica: 4
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -2600.275071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.275071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.709293 (E_RNA)
where:
Base-Base interactions energy: -1763.183
where: short stacking energy: -766.666
Base-Backbone interact. energy: -1.743
local terms energy: -836.784024
where:
bonds (distance) C4'-P energy: -160.811
bonds (distance) P-C4' energy: -156.048
flat angles C4'-P-C4' energy: -183.965
flat angles P-C4'-P energy: -116.303
tors. eta vs tors. theta energy: -219.656
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: 6
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -2518.258022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.258022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.149725 (E_RNA)
where:
Base-Base interactions energy: -1722.379
where: short stacking energy: -738.173
Base-Backbone interact. energy: 0.406
local terms energy: -798.176538
where:
bonds (distance) C4'-P energy: -148.858
bonds (distance) P-C4' energy: -153.048
flat angles C4'-P-C4' energy: -164.115
flat angles P-C4'-P energy: -112.200
tors. eta vs tors. theta energy: -219.956
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: 4, replica: 2
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -2412.770350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.770350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.735933 (E_RNA)
where:
Base-Base interactions energy: -1625.506
where: short stacking energy: -716.334
Base-Backbone interact. energy: -4.601
local terms energy: -784.629003
where:
bonds (distance) C4'-P energy: -142.598
bonds (distance) P-C4' energy: -152.207
flat angles C4'-P-C4' energy: -160.538
flat angles P-C4'-P energy: -115.295
tors. eta vs tors. theta energy: -213.992
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: 5, replica: 10
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -2237.010160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.010160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.045365 (E_RNA)
where:
Base-Base interactions energy: -1515.746
where: short stacking energy: -644.958
Base-Backbone interact. energy: -1.585
local terms energy: -720.713652
where:
bonds (distance) C4'-P energy: -150.549
bonds (distance) P-C4' energy: -139.781
flat angles C4'-P-C4' energy: -163.474
flat angles P-C4'-P energy: -91.593
tors. eta vs tors. theta energy: -175.317
Dist. restrs. and SS energy: 1.035 (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: 53
Temperature: 1.150000
Total energy: -2191.687785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.687785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.720852 (E_RNA)
where:
Base-Base interactions energy: -1493.536
where: short stacking energy: -630.561
Base-Backbone interact. energy: 4.864
local terms energy: -705.049255
where:
bonds (distance) C4'-P energy: -132.725
bonds (distance) P-C4' energy: -137.629
flat angles C4'-P-C4' energy: -154.467
flat angles P-C4'-P energy: -115.095
tors. eta vs tors. theta energy: -165.133
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: 7, replica: 7
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -2136.203890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.203890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.314106 (E_RNA)
where:
Base-Base interactions energy: -1470.216
where: short stacking energy: -622.471
Base-Backbone interact. energy: 1.775
local terms energy: -669.873386
where:
bonds (distance) C4'-P energy: -121.575
bonds (distance) P-C4' energy: -130.592
flat angles C4'-P-C4' energy: -152.664
flat angles P-C4'-P energy: -98.953
tors. eta vs tors. theta energy: -166.089
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: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -1973.193411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.193411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.358828 (E_RNA)
where:
Base-Base interactions energy: -1334.302
where: short stacking energy: -569.763
Base-Backbone interact. energy: 0.416
local terms energy: -641.472874
where:
bonds (distance) C4'-P energy: -127.495
bonds (distance) P-C4' energy: -140.455
flat angles C4'-P-C4' energy: -152.438
flat angles P-C4'-P energy: -82.349
tors. eta vs tors. theta energy: -138.736
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: 9, replica: 5
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -1940.353546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.353546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.992366 (E_RNA)
where:
Base-Base interactions energy: -1301.366
where: short stacking energy: -538.328
Base-Backbone interact. energy: 1.860
local terms energy: -644.486406
where:
bonds (distance) C4'-P energy: -148.753
bonds (distance) P-C4' energy: -131.652
flat angles C4'-P-C4' energy: -142.837
flat angles P-C4'-P energy: -85.819
tors. eta vs tors. theta energy: -135.425
Dist. restrs. and SS energy: 3.639 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -1824.442298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.442298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.442045 (E_RNA)
where:
Base-Base interactions energy: -1251.949
where: short stacking energy: -507.478
Base-Backbone interact. energy: -0.251
local terms energy: -575.242604
where:
bonds (distance) C4'-P energy: -130.088
bonds (distance) P-C4' energy: -115.245
flat angles C4'-P-C4' energy: -140.354
flat angles P-C4'-P energy: -76.081
tors. eta vs tors. theta energy: -113.475
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: 1, replica: 9
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -2829.228961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2829.228961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.573589 (E_RNA)
where:
Base-Base interactions energy: -1951.297
where: short stacking energy: -800.034
Base-Backbone interact. energy: -2.624
local terms energy: -876.652529
where:
bonds (distance) C4'-P energy: -159.400
bonds (distance) P-C4' energy: -162.818
flat angles C4'-P-C4' energy: -184.954
flat angles P-C4'-P energy: -133.755
tors. eta vs tors. theta energy: -235.725
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: 2, replica: 4
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -2648.704307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.704307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.362624 (E_RNA)
where:
Base-Base interactions energy: -1787.883
where: short stacking energy: -780.181
Base-Backbone interact. energy: -1.503
local terms energy: -860.976019
where:
bonds (distance) C4'-P energy: -170.744
bonds (distance) P-C4' energy: -149.638
flat angles C4'-P-C4' energy: -172.769
flat angles P-C4'-P energy: -137.842
tors. eta vs tors. theta energy: -229.983
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: 6
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -2504.324292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.324292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.640362 (E_RNA)
where:
Base-Base interactions energy: -1719.769
where: short stacking energy: -738.686
Base-Backbone interact. energy: -3.276
local terms energy: -782.595883
where:
bonds (distance) C4'-P energy: -142.724
bonds (distance) P-C4' energy: -164.372
flat angles C4'-P-C4' energy: -166.785
flat angles P-C4'-P energy: -105.753
tors. eta vs tors. theta energy: -202.961
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: 4, replica: 2
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -2399.538265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.538265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.350777 (E_RNA)
where:
Base-Base interactions energy: -1624.173
where: short stacking energy: -705.684
Base-Backbone interact. energy: -1.991
local terms energy: -775.186710
where:
bonds (distance) C4'-P energy: -144.026
bonds (distance) P-C4' energy: -152.497
flat angles C4'-P-C4' energy: -166.166
flat angles P-C4'-P energy: -106.469
tors. eta vs tors. theta energy: -206.029
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: 5, replica: 10
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -2244.175235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.175235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.818199 (E_RNA)
where:
Base-Base interactions energy: -1480.594
where: short stacking energy: -686.435
Base-Backbone interact. energy: -0.496
local terms energy: -765.728160
where:
bonds (distance) C4'-P energy: -137.874
bonds (distance) P-C4' energy: -163.511
flat angles C4'-P-C4' energy: -160.440
flat angles P-C4'-P energy: -104.937
tors. eta vs tors. theta energy: -198.966
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: 6, replica: 1
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -2131.585112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.585112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.648257 (E_RNA)
where:
Base-Base interactions energy: -1442.914
where: short stacking energy: -642.470
Base-Backbone interact. energy: 8.182
local terms energy: -698.916512
where:
bonds (distance) C4'-P energy: -144.015
bonds (distance) P-C4' energy: -128.121
flat angles C4'-P-C4' energy: -148.259
flat angles P-C4'-P energy: -109.292
tors. eta vs tors. theta energy: -169.230
Dist. restrs. and SS energy: 2.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -2064.222583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.222583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.903884 (E_RNA)
where:
Base-Base interactions energy: -1397.310
where: short stacking energy: -606.150
Base-Backbone interact. energy: -2.015
local terms energy: -668.578390
where:
bonds (distance) C4'-P energy: -139.494
bonds (distance) P-C4' energy: -147.999
flat angles C4'-P-C4' energy: -139.029
flat angles P-C4'-P energy: -82.714
tors. eta vs tors. theta energy: -159.343
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: 8, replica: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -1974.535311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.535311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.015415 (E_RNA)
where:
Base-Base interactions energy: -1368.745
where: short stacking energy: -577.680
Base-Backbone interact. energy: 1.161
local terms energy: -609.431181
where:
bonds (distance) C4'-P energy: -109.479
bonds (distance) P-C4' energy: -136.145
flat angles C4'-P-C4' energy: -148.378
flat angles P-C4'-P energy: -95.875
tors. eta vs tors. theta energy: -119.552
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: 9, replica: 5
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -1916.984619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.984619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.040762 (E_RNA)
where:
Base-Base interactions energy: -1279.958
where: short stacking energy: -533.309
Base-Backbone interact. energy: 1.217
local terms energy: -642.300341
where:
bonds (distance) C4'-P energy: -128.153
bonds (distance) P-C4' energy: -142.978
flat angles C4'-P-C4' energy: -144.006
flat angles P-C4'-P energy: -83.193
tors. eta vs tors. theta energy: -143.971
Dist. restrs. and SS energy: 4.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -1805.660683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.660683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.645110 (E_RNA)
where:
Base-Base interactions energy: -1232.166
where: short stacking energy: -512.184
Base-Backbone interact. energy: 3.383
local terms energy: -580.862427
where:
bonds (distance) C4'-P energy: -115.967
bonds (distance) P-C4' energy: -136.336
flat angles C4'-P-C4' energy: -123.547
flat angles P-C4'-P energy: -80.396
tors. eta vs tors. theta energy: -124.617
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: 1, replica: 9
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -2840.363020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.363020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2842.097298 (E_RNA)
where:
Base-Base interactions energy: -1952.011
where: short stacking energy: -859.563
Base-Backbone interact. energy: 0.418
local terms energy: -890.504400
where:
bonds (distance) C4'-P energy: -149.354
bonds (distance) P-C4' energy: -164.600
flat angles C4'-P-C4' energy: -196.350
flat angles P-C4'-P energy: -138.291
tors. eta vs tors. theta energy: -241.909
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: 2, replica: 4
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -2616.828396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.828396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.985840 (E_RNA)
where:
Base-Base interactions energy: -1768.383
where: short stacking energy: -779.560
Base-Backbone interact. energy: -0.457
local terms energy: -850.146233
where:
bonds (distance) C4'-P energy: -165.418
bonds (distance) P-C4' energy: -178.958
flat angles C4'-P-C4' energy: -178.283
flat angles P-C4'-P energy: -109.320
tors. eta vs tors. theta energy: -218.166
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: 3, replica: 6
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -2524.656029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.656029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.493716 (E_RNA)
where:
Base-Base interactions energy: -1695.510
where: short stacking energy: -736.209
Base-Backbone interact. energy: -0.589
local terms energy: -831.395413
where:
bonds (distance) C4'-P energy: -166.320
bonds (distance) P-C4' energy: -156.611
flat angles C4'-P-C4' energy: -181.300
flat angles P-C4'-P energy: -105.129
tors. eta vs tors. theta energy: -222.035
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: 4, replica: 2
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -2467.193239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.193239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.493142 (E_RNA)
where:
Base-Base interactions energy: -1655.046
where: short stacking energy: -721.703
Base-Backbone interact. energy: -2.938
local terms energy: -811.509473
where:
bonds (distance) C4'-P energy: -146.020
bonds (distance) P-C4' energy: -147.154
flat angles C4'-P-C4' energy: -178.329
flat angles P-C4'-P energy: -129.945
tors. eta vs tors. theta energy: -210.063
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: 5, replica: 10
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -2290.546346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.546346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.368516 (E_RNA)
where:
Base-Base interactions energy: -1526.803
where: short stacking energy: -668.062
Base-Backbone interact. energy: 4.120
local terms energy: -769.685661
where:
bonds (distance) C4'-P energy: -133.496
bonds (distance) P-C4' energy: -160.934
flat angles C4'-P-C4' energy: -163.917
flat angles P-C4'-P energy: -125.838
tors. eta vs tors. theta energy: -185.502
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: 6, replica: 1
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -2127.637471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.637471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.319062 (E_RNA)
where:
Base-Base interactions energy: -1414.241
where: short stacking energy: -643.287
Base-Backbone interact. energy: -2.273
local terms energy: -714.805231
where:
bonds (distance) C4'-P energy: -134.254
bonds (distance) P-C4' energy: -132.818
flat angles C4'-P-C4' energy: -164.765
flat angles P-C4'-P energy: -88.591
tors. eta vs tors. theta energy: -194.377
Dist. restrs. and SS energy: 3.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -2111.902428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.902428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.242649 (E_RNA)
where:
Base-Base interactions energy: -1454.191
where: short stacking energy: -616.623
Base-Backbone interact. energy: -0.497
local terms energy: -659.554288
where:
bonds (distance) C4'-P energy: -133.116
bonds (distance) P-C4' energy: -109.404
flat angles C4'-P-C4' energy: -160.868
flat angles P-C4'-P energy: -87.047
tors. eta vs tors. theta energy: -169.119
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: 8
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -2022.104588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.104588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.649023 (E_RNA)
where:
Base-Base interactions energy: -1374.862
where: short stacking energy: -570.328
Base-Backbone interact. energy: -2.561
local terms energy: -646.225879
where:
bonds (distance) C4'-P energy: -123.923
bonds (distance) P-C4' energy: -143.372
flat angles C4'-P-C4' energy: -142.848
flat angles P-C4'-P energy: -90.503
tors. eta vs tors. theta energy: -145.579
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: 9, replica: 5
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -1927.340220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.340220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.155551 (E_RNA)
where:
Base-Base interactions energy: -1290.480
where: short stacking energy: -550.525
Base-Backbone interact. energy: 7.617
local terms energy: -649.292748
where:
bonds (distance) C4'-P energy: -132.313
bonds (distance) P-C4' energy: -123.274
flat angles C4'-P-C4' energy: -158.476
flat angles P-C4'-P energy: -106.553
tors. eta vs tors. theta energy: -128.676
Dist. restrs. and SS energy: 4.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -1873.903554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.903554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.225785 (E_RNA)
where:
Base-Base interactions energy: -1264.235
where: short stacking energy: -522.329
Base-Backbone interact. energy: -2.115
local terms energy: -613.875371
where:
bonds (distance) C4'-P energy: -117.350
bonds (distance) P-C4' energy: -142.432
flat angles C4'-P-C4' energy: -153.094
flat angles P-C4'-P energy: -85.274
tors. eta vs tors. theta energy: -115.727
Dist. restrs. and SS energy: 6.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -2775.009606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.009606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.185078 (E_RNA)
where:
Base-Base interactions energy: -1917.512
where: short stacking energy: -814.886
Base-Backbone interact. energy: -2.858
local terms energy: -856.815280
where:
bonds (distance) C4'-P energy: -163.103
bonds (distance) P-C4' energy: -158.221
flat angles C4'-P-C4' energy: -182.045
flat angles P-C4'-P energy: -122.859
tors. eta vs tors. theta energy: -230.588
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: 4
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -2605.822298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.822298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.982136 (E_RNA)
where:
Base-Base interactions energy: -1781.979
where: short stacking energy: -795.674
Base-Backbone interact. energy: 1.203
local terms energy: -827.206151
where:
bonds (distance) C4'-P energy: -157.002
bonds (distance) P-C4' energy: -146.656
flat angles C4'-P-C4' energy: -178.960
flat angles P-C4'-P energy: -114.418
tors. eta vs tors. theta energy: -230.171
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: 3, replica: 6
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -2548.676783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.676783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.278122 (E_RNA)
where:
Base-Base interactions energy: -1731.847
where: short stacking energy: -745.070
Base-Backbone interact. energy: -3.806
local terms energy: -814.625064
where:
bonds (distance) C4'-P energy: -140.376
bonds (distance) P-C4' energy: -160.323
flat angles C4'-P-C4' energy: -169.207
flat angles P-C4'-P energy: -124.616
tors. eta vs tors. theta energy: -220.103
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: 4, replica: 2
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -2441.644119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.644119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.642301 (E_RNA)
where:
Base-Base interactions energy: -1643.872
where: short stacking energy: -693.097
Base-Backbone interact. energy: 0.615
local terms energy: -801.385247
where:
bonds (distance) C4'-P energy: -144.305
bonds (distance) P-C4' energy: -145.185
flat angles C4'-P-C4' energy: -164.584
flat angles P-C4'-P energy: -129.714
tors. eta vs tors. theta energy: -217.597
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: 5, replica: 1
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -2204.376290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.376290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.274077 (E_RNA)
where:
Base-Base interactions energy: -1463.051
where: short stacking energy: -631.467
Base-Backbone interact. energy: 1.738
local terms energy: -744.960700
where:
bonds (distance) C4'-P energy: -142.742
bonds (distance) P-C4' energy: -142.354
flat angles C4'-P-C4' energy: -172.677
flat angles P-C4'-P energy: -99.343
tors. eta vs tors. theta energy: -187.845
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: 6, replica: 10
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -2196.436539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.436539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.037928 (E_RNA)
where:
Base-Base interactions energy: -1442.165
where: short stacking energy: -647.788
Base-Backbone interact. energy: -1.115
local terms energy: -754.757665
where:
bonds (distance) C4'-P energy: -151.518
bonds (distance) P-C4' energy: -149.056
flat angles C4'-P-C4' energy: -151.625
flat angles P-C4'-P energy: -108.588
tors. eta vs tors. theta energy: -193.971
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: 7, replica: 7
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -2136.715919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.715919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.198046 (E_RNA)
where:
Base-Base interactions energy: -1459.474
where: short stacking energy: -614.891
Base-Backbone interact. energy: 0.420
local terms energy: -679.144356
where:
bonds (distance) C4'-P energy: -120.455
bonds (distance) P-C4' energy: -152.337
flat angles C4'-P-C4' energy: -157.003
flat angles P-C4'-P energy: -100.254
tors. eta vs tors. theta energy: -149.096
Dist. restrs. and SS energy: 1.482 (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: 8
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -2010.503941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.503941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.548964 (E_RNA)
where:
Base-Base interactions energy: -1379.376
where: short stacking energy: -572.784
Base-Backbone interact. energy: 2.956
local terms energy: -637.129054
where:
bonds (distance) C4'-P energy: -119.837
bonds (distance) P-C4' energy: -137.177
flat angles C4'-P-C4' energy: -145.394
flat angles P-C4'-P energy: -92.050
tors. eta vs tors. theta energy: -142.671
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: 9, replica: 3
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -1924.188890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.188890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.892957 (E_RNA)
where:
Base-Base interactions energy: -1262.958
where: short stacking energy: -542.338
Base-Backbone interact. energy: 0.073
local terms energy: -665.008722
where:
bonds (distance) C4'-P energy: -135.228
bonds (distance) P-C4' energy: -137.669
flat angles C4'-P-C4' energy: -153.149
flat angles P-C4'-P energy: -88.692
tors. eta vs tors. theta energy: -150.270
Dist. restrs. and SS energy: 3.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -1833.227299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.227299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.929452 (E_RNA)
where:
Base-Base interactions energy: -1259.568
where: short stacking energy: -514.724
Base-Backbone interact. energy: 5.959
local terms energy: -583.320591
where:
bonds (distance) C4'-P energy: -115.947
bonds (distance) P-C4' energy: -137.679
flat angles C4'-P-C4' energy: -129.240
flat angles P-C4'-P energy: -70.754
tors. eta vs tors. theta energy: -129.700
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: 1, replica: 9
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -2809.710158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.710158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.332485 (E_RNA)
where:
Base-Base interactions energy: -1931.064
where: short stacking energy: -814.007
Base-Backbone interact. energy: -4.941
local terms energy: -875.327678
where:
bonds (distance) C4'-P energy: -174.987
bonds (distance) P-C4' energy: -164.922
flat angles C4'-P-C4' energy: -188.581
flat angles P-C4'-P energy: -118.062
tors. eta vs tors. theta energy: -228.775
Dist. restrs. and SS energy: 1.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -2649.497586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.497586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.938092 (E_RNA)
where:
Base-Base interactions energy: -1814.633
where: short stacking energy: -799.688
Base-Backbone interact. energy: -3.089
local terms energy: -833.216066
where:
bonds (distance) C4'-P energy: -158.066
bonds (distance) P-C4' energy: -148.415
flat angles C4'-P-C4' energy: -184.890
flat angles P-C4'-P energy: -121.940
tors. eta vs tors. theta energy: -219.905
Dist. restrs. and SS energy: 1.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -2551.144932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.144932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.531531 (E_RNA)
where:
Base-Base interactions energy: -1739.841
where: short stacking energy: -783.537
Base-Backbone interact. energy: -2.404
local terms energy: -812.286499
where:
bonds (distance) C4'-P energy: -150.367
bonds (distance) P-C4' energy: -157.518
flat angles C4'-P-C4' energy: -178.700
flat angles P-C4'-P energy: -107.707
tors. eta vs tors. theta energy: -217.994
Dist. restrs. and SS energy: 3.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -2460.705672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.705672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.300747 (E_RNA)
where:
Base-Base interactions energy: -1671.839
where: short stacking energy: -728.538
Base-Backbone interact. energy: -4.057
local terms energy: -786.404940
where:
bonds (distance) C4'-P energy: -150.148
bonds (distance) P-C4' energy: -151.229
flat angles C4'-P-C4' energy: -176.250
flat angles P-C4'-P energy: -100.456
tors. eta vs tors. theta energy: -208.321
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: 5, replica: 1
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -2248.817085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.817085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.210152 (E_RNA)
where:
Base-Base interactions energy: -1490.269
where: short stacking energy: -669.746
Base-Backbone interact. energy: -2.443
local terms energy: -758.498010
where:
bonds (distance) C4'-P energy: -125.687
bonds (distance) P-C4' energy: -150.363
flat angles C4'-P-C4' energy: -164.465
flat angles P-C4'-P energy: -128.271
tors. eta vs tors. theta energy: -189.712
Dist. restrs. and SS energy: 2.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -2166.824090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.824090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.078425 (E_RNA)
where:
Base-Base interactions energy: -1450.854
where: short stacking energy: -623.930
Base-Backbone interact. energy: -2.152
local terms energy: -715.072686
where:
bonds (distance) C4'-P energy: -142.644
bonds (distance) P-C4' energy: -142.281
flat angles C4'-P-C4' energy: -149.633
flat angles P-C4'-P energy: -109.175
tors. eta vs tors. theta energy: -171.340
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: 7, replica: 7
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -2084.493655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.493655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.114752 (E_RNA)
where:
Base-Base interactions energy: -1410.219
where: short stacking energy: -616.966
Base-Backbone interact. energy: -0.906
local terms energy: -675.990247
where:
bonds (distance) C4'-P energy: -134.977
bonds (distance) P-C4' energy: -151.997
flat angles C4'-P-C4' energy: -148.256
flat angles P-C4'-P energy: -83.614
tors. eta vs tors. theta energy: -157.146
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: 8, replica: 8
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -2023.049596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.049596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.268692 (E_RNA)
where:
Base-Base interactions energy: -1366.667
where: short stacking energy: -586.589
Base-Backbone interact. energy: -2.080
local terms energy: -658.521631
where:
bonds (distance) C4'-P energy: -119.827
bonds (distance) P-C4' energy: -131.755
flat angles C4'-P-C4' energy: -149.861
flat angles P-C4'-P energy: -110.377
tors. eta vs tors. theta energy: -146.702
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: 9, replica: 3
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -1949.505609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.505609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.548315 (E_RNA)
where:
Base-Base interactions energy: -1353.186
where: short stacking energy: -556.659
Base-Backbone interact. energy: -1.856
local terms energy: -597.505591
where:
bonds (distance) C4'-P energy: -110.576
bonds (distance) P-C4' energy: -118.315
flat angles C4'-P-C4' energy: -142.049
flat angles P-C4'-P energy: -82.115
tors. eta vs tors. theta energy: -144.451
Dist. restrs. and SS energy: 3.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -1841.912860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.912860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.570721 (E_RNA)
where:
Base-Base interactions energy: -1279.162
where: short stacking energy: -540.375
Base-Backbone interact. energy: 3.549
local terms energy: -568.957912
where:
bonds (distance) C4'-P energy: -106.305
bonds (distance) P-C4' energy: -118.201
flat angles C4'-P-C4' energy: -104.970
flat angles P-C4'-P energy: -98.720
tors. eta vs tors. theta energy: -140.762
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: 58
Temperature: 0.900000
Total energy: -2818.908088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.908088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.041318 (E_RNA)
where:
Base-Base interactions energy: -1919.256
where: short stacking energy: -846.984
Base-Backbone interact. energy: -2.140
local terms energy: -898.646173
where:
bonds (distance) C4'-P energy: -160.756
bonds (distance) P-C4' energy: -172.481
flat angles C4'-P-C4' energy: -181.711
flat angles P-C4'-P energy: -134.800
tors. eta vs tors. theta energy: -248.898
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: 4
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -2599.802930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.802930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.095522 (E_RNA)
where:
Base-Base interactions energy: -1783.862
where: short stacking energy: -774.847
Base-Backbone interact. energy: -3.522
local terms energy: -813.711570
where:
bonds (distance) C4'-P energy: -156.437
bonds (distance) P-C4' energy: -157.448
flat angles C4'-P-C4' energy: -167.952
flat angles P-C4'-P energy: -105.766
tors. eta vs tors. theta energy: -226.108
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: 3, replica: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -2559.078441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.078441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.788438 (E_RNA)
where:
Base-Base interactions energy: -1720.742
where: short stacking energy: -756.050
Base-Backbone interact. energy: 2.127
local terms energy: -842.174048
where:
bonds (distance) C4'-P energy: -163.029
bonds (distance) P-C4' energy: -157.006
flat angles C4'-P-C4' energy: -175.315
flat angles P-C4'-P energy: -130.866
tors. eta vs tors. theta energy: -215.958
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: 6
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -2428.485365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.485365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.502966 (E_RNA)
where:
Base-Base interactions energy: -1633.715
where: short stacking energy: -726.561
Base-Backbone interact. energy: 1.424
local terms energy: -798.211749
where:
bonds (distance) C4'-P energy: -147.679
bonds (distance) P-C4' energy: -152.811
flat angles C4'-P-C4' energy: -169.953
flat angles P-C4'-P energy: -96.988
tors. eta vs tors. theta energy: -230.781
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: 5, replica: 1
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -2173.491255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.491255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.906769 (E_RNA)
where:
Base-Base interactions energy: -1441.848
where: short stacking energy: -611.855
Base-Backbone interact. energy: -3.471
local terms energy: -729.588077
where:
bonds (distance) C4'-P energy: -144.593
bonds (distance) P-C4' energy: -153.157
flat angles C4'-P-C4' energy: -165.581
flat angles P-C4'-P energy: -100.695
tors. eta vs tors. theta energy: -165.562
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: 6, replica: 10
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -2174.448142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.448142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.290878 (E_RNA)
where:
Base-Base interactions energy: -1451.673
where: short stacking energy: -635.860
Base-Backbone interact. energy: 5.560
local terms energy: -730.177970
where:
bonds (distance) C4'-P energy: -131.893
bonds (distance) P-C4' energy: -168.502
flat angles C4'-P-C4' energy: -163.321
flat angles P-C4'-P energy: -101.165
tors. eta vs tors. theta energy: -165.297
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: 7, replica: 7
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -2112.572242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.572242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.115068 (E_RNA)
where:
Base-Base interactions energy: -1439.424
where: short stacking energy: -633.242
Base-Backbone interact. energy: 0.907
local terms energy: -675.597663
where:
bonds (distance) C4'-P energy: -143.000
bonds (distance) P-C4' energy: -122.622
flat angles C4'-P-C4' energy: -146.699
flat angles P-C4'-P energy: -90.018
tors. eta vs tors. theta energy: -173.258
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: 8, replica: 8
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -2035.091507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.091507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.507721 (E_RNA)
where:
Base-Base interactions energy: -1366.321
where: short stacking energy: -593.417
Base-Backbone interact. energy: -0.667
local terms energy: -670.519555
where:
bonds (distance) C4'-P energy: -119.996
bonds (distance) P-C4' energy: -143.712
flat angles C4'-P-C4' energy: -152.816
flat angles P-C4'-P energy: -111.945
tors. eta vs tors. theta energy: -142.051
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: 3
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -1900.598123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.598123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.321864 (E_RNA)
where:
Base-Base interactions energy: -1274.051
where: short stacking energy: -523.715
Base-Backbone interact. energy: -0.913
local terms energy: -628.357499
where:
bonds (distance) C4'-P energy: -132.350
bonds (distance) P-C4' energy: -134.018
flat angles C4'-P-C4' energy: -135.324
flat angles P-C4'-P energy: -87.740
tors. eta vs tors. theta energy: -138.925
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: 5
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -1822.678712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.678712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.810140 (E_RNA)
where:
Base-Base interactions energy: -1211.203
where: short stacking energy: -497.268
Base-Backbone interact. energy: -1.318
local terms energy: -613.288765
where:
bonds (distance) C4'-P energy: -121.273
bonds (distance) P-C4' energy: -147.507
flat angles C4'-P-C4' energy: -150.552
flat angles P-C4'-P energy: -70.788
tors. eta vs tors. theta energy: -123.169
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: 1, replica: 9
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -2802.207671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.207671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.192449 (E_RNA)
where:
Base-Base interactions energy: -1944.693
where: short stacking energy: -824.863
Base-Backbone interact. energy: -0.681
local terms energy: -857.819193
where:
bonds (distance) C4'-P energy: -174.688
bonds (distance) P-C4' energy: -149.528
flat angles C4'-P-C4' energy: -188.111
flat angles P-C4'-P energy: -101.113
tors. eta vs tors. theta energy: -244.380
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: 2, replica: 4
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -2614.395784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.395784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.287894 (E_RNA)
where:
Base-Base interactions energy: -1817.219
where: short stacking energy: -778.489
Base-Backbone interact. energy: -3.505
local terms energy: -794.563595
where:
bonds (distance) C4'-P energy: -154.949
bonds (distance) P-C4' energy: -148.149
flat angles C4'-P-C4' energy: -174.636
flat angles P-C4'-P energy: -100.827
tors. eta vs tors. theta energy: -216.003
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: 3, replica: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -2578.772862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.772862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.683393 (E_RNA)
where:
Base-Base interactions energy: -1773.447
where: short stacking energy: -753.833
Base-Backbone interact. energy: 3.921
local terms energy: -811.157313
where:
bonds (distance) C4'-P energy: -146.050
bonds (distance) P-C4' energy: -161.981
flat angles C4'-P-C4' energy: -173.135
flat angles P-C4'-P energy: -114.083
tors. eta vs tors. theta energy: -215.909
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: 4, replica: 6
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -2451.628418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.628418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.450707 (E_RNA)
where:
Base-Base interactions energy: -1668.532
where: short stacking energy: -752.058
Base-Backbone interact. energy: -1.487
local terms energy: -783.431203
where:
bonds (distance) C4'-P energy: -154.762
bonds (distance) P-C4' energy: -137.016
flat angles C4'-P-C4' energy: -170.488
flat angles P-C4'-P energy: -115.228
tors. eta vs tors. theta energy: -205.937
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: 1
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -2262.824684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.824684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.366983 (E_RNA)
where:
Base-Base interactions energy: -1554.905
where: short stacking energy: -675.793
Base-Backbone interact. energy: 2.735
local terms energy: -712.196851
where:
bonds (distance) C4'-P energy: -135.723
bonds (distance) P-C4' energy: -132.985
flat angles C4'-P-C4' energy: -156.733
flat angles P-C4'-P energy: -104.496
tors. eta vs tors. theta energy: -182.260
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: 6, replica: 7
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -2166.846842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.846842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.279391 (E_RNA)
where:
Base-Base interactions energy: -1444.829
where: short stacking energy: -637.514
Base-Backbone interact. energy: -0.268
local terms energy: -724.181953
where:
bonds (distance) C4'-P energy: -137.512
bonds (distance) P-C4' energy: -153.801
flat angles C4'-P-C4' energy: -160.546
flat angles P-C4'-P energy: -102.089
tors. eta vs tors. theta energy: -170.235
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: 59
Temperature: 1.200000
Total energy: -2125.496438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.496438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.151533 (E_RNA)
where:
Base-Base interactions energy: -1405.928
where: short stacking energy: -574.087
Base-Backbone interact. energy: -3.019
local terms energy: -718.204721
where:
bonds (distance) C4'-P energy: -145.809
bonds (distance) P-C4' energy: -141.187
flat angles C4'-P-C4' energy: -173.375
flat angles P-C4'-P energy: -90.520
tors. eta vs tors. theta energy: -167.314
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: 8, replica: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -1986.940268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.940268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.272449 (E_RNA)
where:
Base-Base interactions energy: -1335.155
where: short stacking energy: -561.728
Base-Backbone interact. energy: -2.141
local terms energy: -652.976404
where:
bonds (distance) C4'-P energy: -113.021
bonds (distance) P-C4' energy: -135.570
flat angles C4'-P-C4' energy: -165.402
flat angles P-C4'-P energy: -111.882
tors. eta vs tors. theta energy: -127.102
Dist. restrs. and SS energy: 3.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -1956.319260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.319260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.142924 (E_RNA)
where:
Base-Base interactions energy: -1286.406
where: short stacking energy: -567.336
Base-Backbone interact. energy: -0.803
local terms energy: -672.933924
where:
bonds (distance) C4'-P energy: -133.064
bonds (distance) P-C4' energy: -121.201
flat angles C4'-P-C4' energy: -170.883
flat angles P-C4'-P energy: -93.101
tors. eta vs tors. theta energy: -154.685
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: 5
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -1861.016936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.016936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.000310 (E_RNA)
where:
Base-Base interactions energy: -1277.571
where: short stacking energy: -512.922
Base-Backbone interact. energy: -2.888
local terms energy: -585.541039
where:
bonds (distance) C4'-P energy: -119.198
bonds (distance) P-C4' energy: -108.593
flat angles C4'-P-C4' energy: -135.381
flat angles P-C4'-P energy: -84.273
tors. eta vs tors. theta energy: -138.097
Dist. restrs. and SS energy: 4.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -2762.674061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.674061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2764.142733 (E_RNA)
where:
Base-Base interactions energy: -1885.971
where: short stacking energy: -797.616
Base-Backbone interact. energy: -3.031
local terms energy: -875.141211
where:
bonds (distance) C4'-P energy: -166.119
bonds (distance) P-C4' energy: -164.095
flat angles C4'-P-C4' energy: -177.769
flat angles P-C4'-P energy: -123.208
tors. eta vs tors. theta energy: -243.951
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: 2, replica: 4
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -2630.872934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.872934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.576588 (E_RNA)
where:
Base-Base interactions energy: -1795.209
where: short stacking energy: -787.379
Base-Backbone interact. energy: -2.778
local terms energy: -834.589914
where:
bonds (distance) C4'-P energy: -160.374
bonds (distance) P-C4' energy: -153.295
flat angles C4'-P-C4' energy: -173.561
flat angles P-C4'-P energy: -119.858
tors. eta vs tors. theta energy: -227.502
Dist. restrs. and SS energy: 1.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -2592.957071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.957071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.366855 (E_RNA)
where:
Base-Base interactions energy: -1753.336
where: short stacking energy: -764.032
Base-Backbone interact. energy: 3.287
local terms energy: -844.318465
where:
bonds (distance) C4'-P energy: -168.901
bonds (distance) P-C4' energy: -148.319
flat angles C4'-P-C4' energy: -177.512
flat angles P-C4'-P energy: -124.492
tors. eta vs tors. theta energy: -225.094
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: 4, replica: 6
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -2413.069539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.069539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.260976 (E_RNA)
where:
Base-Base interactions energy: -1637.466
where: short stacking energy: -716.846
Base-Backbone interact. energy: 0.812
local terms energy: -778.606982
where:
bonds (distance) C4'-P energy: -138.908
bonds (distance) P-C4' energy: -154.419
flat angles C4'-P-C4' energy: -172.796
flat angles P-C4'-P energy: -111.733
tors. eta vs tors. theta energy: -200.751
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: 1
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -2243.757098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.757098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.625148 (E_RNA)
where:
Base-Base interactions energy: -1499.629
where: short stacking energy: -645.746
Base-Backbone interact. energy: 3.262
local terms energy: -749.258103
where:
bonds (distance) C4'-P energy: -128.260
bonds (distance) P-C4' energy: -154.296
flat angles C4'-P-C4' energy: -161.582
flat angles P-C4'-P energy: -134.485
tors. eta vs tors. theta energy: -170.635
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: 7
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -2183.555711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.555711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.990699 (E_RNA)
where:
Base-Base interactions energy: -1467.273
where: short stacking energy: -634.309
Base-Backbone interact. energy: 8.439
local terms energy: -726.157052
where:
bonds (distance) C4'-P energy: -137.822
bonds (distance) P-C4' energy: -157.534
flat angles C4'-P-C4' energy: -151.299
flat angles P-C4'-P energy: -101.792
tors. eta vs tors. theta energy: -177.711
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: 7, replica: 10
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -2087.412237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.412237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.487486 (E_RNA)
where:
Base-Base interactions energy: -1420.987
where: short stacking energy: -619.330
Base-Backbone interact. energy: -1.563
local terms energy: -666.937593
where:
bonds (distance) C4'-P energy: -146.983
bonds (distance) P-C4' energy: -130.860
flat angles C4'-P-C4' energy: -153.098
flat angles P-C4'-P energy: -78.250
tors. eta vs tors. theta energy: -157.747
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: 8, replica: 8
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -2025.568744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.568744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.120214 (E_RNA)
where:
Base-Base interactions energy: -1386.692
where: short stacking energy: -597.732
Base-Backbone interact. energy: 2.489
local terms energy: -643.917158
where:
bonds (distance) C4'-P energy: -113.250
bonds (distance) P-C4' energy: -138.638
flat angles C4'-P-C4' energy: -147.756
flat angles P-C4'-P energy: -99.628
tors. eta vs tors. theta energy: -144.645
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: 9, replica: 5
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -1929.125052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.125052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.068494 (E_RNA)
where:
Base-Base interactions energy: -1308.707
where: short stacking energy: -543.816
Base-Backbone interact. energy: -1.189
local terms energy: -621.172250
where:
bonds (distance) C4'-P energy: -111.382
bonds (distance) P-C4' energy: -141.220
flat angles C4'-P-C4' energy: -134.997
flat angles P-C4'-P energy: -99.256
tors. eta vs tors. theta energy: -134.318
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: 10, replica: 3
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -1854.010626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.010626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.034483 (E_RNA)
where:
Base-Base interactions energy: -1274.191
where: short stacking energy: -548.484
Base-Backbone interact. energy: -3.771
local terms energy: -579.073211
where:
bonds (distance) C4'-P energy: -118.694
bonds (distance) P-C4' energy: -122.219
flat angles C4'-P-C4' energy: -138.912
flat angles P-C4'-P energy: -73.700
tors. eta vs tors. theta energy: -125.549
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: 1, replica: 9
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -2785.004007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.004007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.312859 (E_RNA)
where:
Base-Base interactions energy: -1913.878
where: short stacking energy: -821.278
Base-Backbone interact. energy: -3.402
local terms energy: -869.032887
where:
bonds (distance) C4'-P energy: -165.687
bonds (distance) P-C4' energy: -154.703
flat angles C4'-P-C4' energy: -189.535
flat angles P-C4'-P energy: -122.912
tors. eta vs tors. theta energy: -236.196
Dist. restrs. and SS energy: 1.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -2607.997694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.997694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.367572 (E_RNA)
where:
Base-Base interactions energy: -1768.352
where: short stacking energy: -801.882
Base-Backbone interact. energy: -2.277
local terms energy: -839.737877
where:
bonds (distance) C4'-P energy: -163.866
bonds (distance) P-C4' energy: -165.928
flat angles C4'-P-C4' energy: -181.090
flat angles P-C4'-P energy: -107.381
tors. eta vs tors. theta energy: -221.473
Dist. restrs. and SS energy: 2.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -2583.099235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.099235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.778528 (E_RNA)
where:
Base-Base interactions energy: -1771.718
where: short stacking energy: -755.837
Base-Backbone interact. energy: -1.256
local terms energy: -811.805234
where:
bonds (distance) C4'-P energy: -141.271
bonds (distance) P-C4' energy: -162.042
flat angles C4'-P-C4' energy: -172.278
flat angles P-C4'-P energy: -114.691
tors. eta vs tors. theta energy: -221.523
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: 4, replica: 6
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -2380.239235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.239235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.538277 (E_RNA)
where:
Base-Base interactions energy: -1608.561
where: short stacking energy: -686.394
Base-Backbone interact. energy: -5.594
local terms energy: -767.383965
where:
bonds (distance) C4'-P energy: -134.878
bonds (distance) P-C4' energy: -149.708
flat angles C4'-P-C4' energy: -162.859
flat angles P-C4'-P energy: -112.561
tors. eta vs tors. theta energy: -207.378
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: 5, replica: 1
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -2246.999675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.999675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.698314 (E_RNA)
where:
Base-Base interactions energy: -1494.995
where: short stacking energy: -658.161
Base-Backbone interact. energy: 5.316
local terms energy: -761.018746
where:
bonds (distance) C4'-P energy: -139.694
bonds (distance) P-C4' energy: -153.223
flat angles C4'-P-C4' energy: -159.779
flat angles P-C4'-P energy: -118.499
tors. eta vs tors. theta energy: -189.823
Dist. restrs. and SS energy: 3.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -2146.694520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.694520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.879502 (E_RNA)
where:
Base-Base interactions energy: -1422.237
where: short stacking energy: -622.414
Base-Backbone interact. energy: 2.103
local terms energy: -728.745106
where:
bonds (distance) C4'-P energy: -130.070
bonds (distance) P-C4' energy: -146.621
flat angles C4'-P-C4' energy: -161.772
flat angles P-C4'-P energy: -112.782
tors. eta vs tors. theta energy: -177.500
Dist. restrs. and SS energy: 2.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -2108.146610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.146610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.990173 (E_RNA)
where:
Base-Base interactions energy: -1394.641
where: short stacking energy: -595.606
Base-Backbone interact. energy: -1.564
local terms energy: -713.785203
where:
bonds (distance) C4'-P energy: -156.056
bonds (distance) P-C4' energy: -147.424
flat angles C4'-P-C4' energy: -157.589
flat angles P-C4'-P energy: -89.400
tors. eta vs tors. theta energy: -163.316
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: 8, replica: 8
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -2002.407521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.407521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.354635 (E_RNA)
where:
Base-Base interactions energy: -1374.202
where: short stacking energy: -610.652
Base-Backbone interact. energy: -1.650
local terms energy: -633.501928
where:
bonds (distance) C4'-P energy: -116.385
bonds (distance) P-C4' energy: -128.633
flat angles C4'-P-C4' energy: -141.821
flat angles P-C4'-P energy: -91.313
tors. eta vs tors. theta energy: -155.350
Dist. restrs. and SS energy: 6.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -1888.850589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.850589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.641113 (E_RNA)
where:
Base-Base interactions energy: -1269.006
where: short stacking energy: -534.327
Base-Backbone interact. energy: -0.927
local terms energy: -621.708134
where:
bonds (distance) C4'-P energy: -124.672
bonds (distance) P-C4' energy: -138.849
flat angles C4'-P-C4' energy: -142.843
flat angles P-C4'-P energy: -75.818
tors. eta vs tors. theta energy: -139.528
Dist. restrs. and SS energy: 2.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -1848.361677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.361677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.419865 (E_RNA)
where:
Base-Base interactions energy: -1286.629
where: short stacking energy: -539.580
Base-Backbone interact. energy: 0.849
local terms energy: -565.639884
where:
bonds (distance) C4'-P energy: -105.665
bonds (distance) P-C4' energy: -121.939
flat angles C4'-P-C4' energy: -134.724
flat angles P-C4'-P energy: -70.159
tors. eta vs tors. theta energy: -133.153
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: 1, replica: 9
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -2797.534241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.534241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.245122 (E_RNA)
where:
Base-Base interactions energy: -1920.410
where: short stacking energy: -844.059
Base-Backbone interact. energy: -2.255
local terms energy: -875.579706
where:
bonds (distance) C4'-P energy: -163.876
bonds (distance) P-C4' energy: -157.270
flat angles C4'-P-C4' energy: -180.127
flat angles P-C4'-P energy: -128.675
tors. eta vs tors. theta energy: -245.630
Dist. restrs. and SS energy: 0.711 (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: 62
Temperature: 0.950000
Total energy: -2593.854553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.854553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.761872 (E_RNA)
where:
Base-Base interactions energy: -1747.341
where: short stacking energy: -767.168
Base-Backbone interact. energy: -1.067
local terms energy: -846.353874
where:
bonds (distance) C4'-P energy: -156.584
bonds (distance) P-C4' energy: -174.944
flat angles C4'-P-C4' energy: -180.005
flat angles P-C4'-P energy: -113.366
tors. eta vs tors. theta energy: -221.456
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: 2
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -2571.752821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.752821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.335636 (E_RNA)
where:
Base-Base interactions energy: -1763.444
where: short stacking energy: -761.326
Base-Backbone interact. energy: 0.294
local terms energy: -810.186082
where:
bonds (distance) C4'-P energy: -151.158
bonds (distance) P-C4' energy: -151.989
flat angles C4'-P-C4' energy: -190.656
flat angles P-C4'-P energy: -109.615
tors. eta vs tors. theta energy: -206.767
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: 6
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -2342.860586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.860586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.040969 (E_RNA)
where:
Base-Base interactions energy: -1594.854
where: short stacking energy: -694.263
Base-Backbone interact. energy: -1.976
local terms energy: -748.211388
where:
bonds (distance) C4'-P energy: -125.402
bonds (distance) P-C4' energy: -148.701
flat angles C4'-P-C4' energy: -161.986
flat angles P-C4'-P energy: -114.817
tors. eta vs tors. theta energy: -197.306
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: 5, replica: 1
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -2208.766440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.766440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.011783 (E_RNA)
where:
Base-Base interactions energy: -1475.374
where: short stacking energy: -641.080
Base-Backbone interact. energy: -3.242
local terms energy: -732.395810
where:
bonds (distance) C4'-P energy: -150.349
bonds (distance) P-C4' energy: -166.402
flat angles C4'-P-C4' energy: -148.669
flat angles P-C4'-P energy: -102.438
tors. eta vs tors. theta energy: -164.538
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: 6, replica: 7
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -2202.263568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.263568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.183359 (E_RNA)
where:
Base-Base interactions energy: -1500.032
where: short stacking energy: -651.876
Base-Backbone interact. energy: 0.059
local terms energy: -704.210155
where:
bonds (distance) C4'-P energy: -141.785
bonds (distance) P-C4' energy: -143.860
flat angles C4'-P-C4' energy: -150.071
flat angles P-C4'-P energy: -99.778
tors. eta vs tors. theta energy: -168.717
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: 7, replica: 10
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -2087.893165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.893165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.514401 (E_RNA)
where:
Base-Base interactions energy: -1413.339
where: short stacking energy: -604.885
Base-Backbone interact. energy: 2.882
local terms energy: -680.057117
where:
bonds (distance) C4'-P energy: -132.288
bonds (distance) P-C4' energy: -144.586
flat angles C4'-P-C4' energy: -166.775
flat angles P-C4'-P energy: -78.647
tors. eta vs tors. theta energy: -157.761
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: 8, replica: 8
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -2021.397146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.397146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.696069 (E_RNA)
where:
Base-Base interactions energy: -1394.520
where: short stacking energy: -588.503
Base-Backbone interact. energy: -0.277
local terms energy: -628.898922
where:
bonds (distance) C4'-P energy: -113.846
bonds (distance) P-C4' energy: -132.145
flat angles C4'-P-C4' energy: -155.334
flat angles P-C4'-P energy: -81.722
tors. eta vs tors. theta energy: -145.852
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: 9, replica: 3
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -1893.236326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.236326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.587614 (E_RNA)
where:
Base-Base interactions energy: -1295.363
where: short stacking energy: -553.270
Base-Backbone interact. energy: -1.045
local terms energy: -599.179109
where:
bonds (distance) C4'-P energy: -124.640
bonds (distance) P-C4' energy: -141.008
flat angles C4'-P-C4' energy: -135.676
flat angles P-C4'-P energy: -74.605
tors. eta vs tors. theta energy: -123.250
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: 10, replica: 5
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -1817.342547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.342547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.987741 (E_RNA)
where:
Base-Base interactions energy: -1215.760
where: short stacking energy: -487.792
Base-Backbone interact. energy: -1.123
local terms energy: -606.104658
where:
bonds (distance) C4'-P energy: -125.572
bonds (distance) P-C4' energy: -142.983
flat angles C4'-P-C4' energy: -142.797
flat angles P-C4'-P energy: -79.111
tors. eta vs tors. theta energy: -115.641
Dist. restrs. and SS energy: 5.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -2778.613659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.613659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.796637 (E_RNA)
where:
Base-Base interactions energy: -1886.264
where: short stacking energy: -803.348
Base-Backbone interact. energy: -2.100
local terms energy: -891.432996
where:
bonds (distance) C4'-P energy: -164.597
bonds (distance) P-C4' energy: -164.732
flat angles C4'-P-C4' energy: -181.022
flat angles P-C4'-P energy: -142.531
tors. eta vs tors. theta energy: -238.551
Dist. restrs. and SS energy: 1.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -2596.688856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.688856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.357894 (E_RNA)
where:
Base-Base interactions energy: -1767.319
where: short stacking energy: -765.433
Base-Backbone interact. energy: -2.269
local terms energy: -828.769668
where:
bonds (distance) C4'-P energy: -160.129
bonds (distance) P-C4' energy: -166.231
flat angles C4'-P-C4' energy: -174.387
flat angles P-C4'-P energy: -101.965
tors. eta vs tors. theta energy: -226.058
Dist. restrs. and SS energy: 1.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -2570.953775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.953775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.905570 (E_RNA)
where:
Base-Base interactions energy: -1746.607
where: short stacking energy: -786.627
Base-Backbone interact. energy: 0.826
local terms energy: -827.124260
where:
bonds (distance) C4'-P energy: -159.832
bonds (distance) P-C4' energy: -153.146
flat angles C4'-P-C4' energy: -182.072
flat angles P-C4'-P energy: -118.251
tors. eta vs tors. theta energy: -213.823
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: 4, replica: 6
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -2362.614442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.614442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.391024 (E_RNA)
where:
Base-Base interactions energy: -1595.955
where: short stacking energy: -716.563
Base-Backbone interact. energy: -4.522
local terms energy: -763.913266
where:
bonds (distance) C4'-P energy: -147.916
bonds (distance) P-C4' energy: -140.632
flat angles C4'-P-C4' energy: -161.581
flat angles P-C4'-P energy: -106.370
tors. eta vs tors. theta energy: -207.414
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: 5, replica: 1
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -2245.212094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.212094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.396269 (E_RNA)
where:
Base-Base interactions energy: -1536.062
where: short stacking energy: -692.472
Base-Backbone interact. energy: -0.292
local terms energy: -710.042225
where:
bonds (distance) C4'-P energy: -130.573
bonds (distance) P-C4' energy: -122.063
flat angles C4'-P-C4' energy: -163.248
flat angles P-C4'-P energy: -104.702
tors. eta vs tors. theta energy: -189.457
Dist. restrs. and SS energy: 1.184 (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: 7
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -2180.469748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.469748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.380775 (E_RNA)
where:
Base-Base interactions energy: -1483.406
where: short stacking energy: -659.470
Base-Backbone interact. energy: -1.757
local terms energy: -697.217988
where:
bonds (distance) C4'-P energy: -130.813
bonds (distance) P-C4' energy: -149.843
flat angles C4'-P-C4' energy: -149.343
flat angles P-C4'-P energy: -86.501
tors. eta vs tors. theta energy: -180.719
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: 7, replica: 10
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -2089.861830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.861830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.473244 (E_RNA)
where:
Base-Base interactions energy: -1387.097
where: short stacking energy: -603.328
Base-Backbone interact. energy: -1.284
local terms energy: -704.091971
where:
bonds (distance) C4'-P energy: -145.047
bonds (distance) P-C4' energy: -139.734
flat angles C4'-P-C4' energy: -153.863
flat angles P-C4'-P energy: -100.131
tors. eta vs tors. theta energy: -165.317
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: 8, replica: 8
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -2065.479465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.479465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.127853 (E_RNA)
where:
Base-Base interactions energy: -1405.133
where: short stacking energy: -603.246
Base-Backbone interact. energy: 9.528
local terms energy: -673.523320
where:
bonds (distance) C4'-P energy: -129.777
bonds (distance) P-C4' energy: -121.648
flat angles C4'-P-C4' energy: -154.323
flat angles P-C4'-P energy: -104.666
tors. eta vs tors. theta energy: -163.110
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: 3
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -1907.046938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.046938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.746845 (E_RNA)
where:
Base-Base interactions energy: -1274.818
where: short stacking energy: -552.482
Base-Backbone interact. energy: -0.733
local terms energy: -634.195424
where:
bonds (distance) C4'-P energy: -124.601
bonds (distance) P-C4' energy: -126.180
flat angles C4'-P-C4' energy: -156.505
flat angles P-C4'-P energy: -86.884
tors. eta vs tors. theta energy: -140.025
Dist. restrs. and SS energy: 2.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -1813.541522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.541522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.959903 (E_RNA)
where:
Base-Base interactions energy: -1219.807
where: short stacking energy: -516.801
Base-Backbone interact. energy: 2.004
local terms energy: -599.157070
where:
bonds (distance) C4'-P energy: -136.525
bonds (distance) P-C4' energy: -132.070
flat angles C4'-P-C4' energy: -123.073
flat angles P-C4'-P energy: -86.373
tors. eta vs tors. theta energy: -121.116
Dist. restrs. and SS energy: 3.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -2778.131341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.131341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.585582 (E_RNA)
where:
Base-Base interactions energy: -1920.106
where: short stacking energy: -827.933
Base-Backbone interact. energy: -2.991
local terms energy: -856.488875
where:
bonds (distance) C4'-P energy: -146.775
bonds (distance) P-C4' energy: -159.269
flat angles C4'-P-C4' energy: -198.802
flat angles P-C4'-P energy: -106.245
tors. eta vs tors. theta energy: -245.397
Dist. restrs. and SS energy: 1.454 (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: 64
Temperature: 0.950000
Total energy: -2579.116751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.116751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.306829 (E_RNA)
where:
Base-Base interactions energy: -1783.570
where: short stacking energy: -754.915
Base-Backbone interact. energy: -0.022
local terms energy: -796.714646
where:
bonds (distance) C4'-P energy: -154.532
bonds (distance) P-C4' energy: -157.389
flat angles C4'-P-C4' energy: -170.635
flat angles P-C4'-P energy: -105.222
tors. eta vs tors. theta energy: -208.937
Dist. restrs. and SS energy: 1.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -2571.401574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.401574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.492121 (E_RNA)
where:
Base-Base interactions energy: -1764.302
where: short stacking energy: -766.696
Base-Backbone interact. energy: -0.031
local terms energy: -808.159255
where:
bonds (distance) C4'-P energy: -154.025
bonds (distance) P-C4' energy: -160.025
flat angles C4'-P-C4' energy: -165.726
flat angles P-C4'-P energy: -111.536
tors. eta vs tors. theta energy: -216.848
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: 4, replica: 6
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -2365.324580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.324580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.536133 (E_RNA)
where:
Base-Base interactions energy: -1573.154
where: short stacking energy: -697.558
Base-Backbone interact. energy: -2.025
local terms energy: -792.357247
where:
bonds (distance) C4'-P energy: -168.283
bonds (distance) P-C4' energy: -148.247
flat angles C4'-P-C4' energy: -164.981
flat angles P-C4'-P energy: -113.225
tors. eta vs tors. theta energy: -197.621
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: 5, replica: 7
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -2316.975462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.975462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.661034 (E_RNA)
where:
Base-Base interactions energy: -1556.666
where: short stacking energy: -637.708
Base-Backbone interact. energy: 2.186
local terms energy: -765.180931
where:
bonds (distance) C4'-P energy: -135.486
bonds (distance) P-C4' energy: -152.479
flat angles C4'-P-C4' energy: -159.249
flat angles P-C4'-P energy: -115.087
tors. eta vs tors. theta energy: -202.879
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: 6, replica: 1
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -2161.894346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.894346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.197796 (E_RNA)
where:
Base-Base interactions energy: -1431.766
where: short stacking energy: -608.357
Base-Backbone interact. energy: 5.189
local terms energy: -737.620776
where:
bonds (distance) C4'-P energy: -162.272
bonds (distance) P-C4' energy: -150.045
flat angles C4'-P-C4' energy: -164.891
flat angles P-C4'-P energy: -97.386
tors. eta vs tors. theta energy: -163.026
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: 7, replica: 8
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -2067.982756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.982756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.952294 (E_RNA)
where:
Base-Base interactions energy: -1390.185
where: short stacking energy: -584.797
Base-Backbone interact. energy: -2.682
local terms energy: -678.084702
where:
bonds (distance) C4'-P energy: -141.987
bonds (distance) P-C4' energy: -127.264
flat angles C4'-P-C4' energy: -160.366
flat angles P-C4'-P energy: -91.108
tors. eta vs tors. theta energy: -157.360
Dist. restrs. and SS energy: 2.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -2025.742580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.742580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.788626 (E_RNA)
where:
Base-Base interactions energy: -1378.077
where: short stacking energy: -595.591
Base-Backbone interact. energy: 7.920
local terms energy: -657.631595
where:
bonds (distance) C4'-P energy: -128.674
bonds (distance) P-C4' energy: -144.169
flat angles C4'-P-C4' energy: -153.341
flat angles P-C4'-P energy: -88.357
tors. eta vs tors. theta energy: -143.091
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: 3
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -1893.435176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.435176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.550535 (E_RNA)
where:
Base-Base interactions energy: -1304.433
where: short stacking energy: -550.893
Base-Backbone interact. energy: -2.189
local terms energy: -589.928587
where:
bonds (distance) C4'-P energy: -111.930
bonds (distance) P-C4' energy: -113.880
flat angles C4'-P-C4' energy: -136.425
flat angles P-C4'-P energy: -89.147
tors. eta vs tors. theta energy: -138.547
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: 5
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -1828.304452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.304452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.345087 (E_RNA)
where:
Base-Base interactions energy: -1231.523
where: short stacking energy: -527.215
Base-Backbone interact. energy: 1.673
local terms energy: -604.494973
where:
bonds (distance) C4'-P energy: -132.520
bonds (distance) P-C4' energy: -121.619
flat angles C4'-P-C4' energy: -156.255
flat angles P-C4'-P energy: -72.851
tors. eta vs tors. theta energy: -121.250
Dist. restrs. and SS energy: 6.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -2788.440526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.440526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.259215 (E_RNA)
where:
Base-Base interactions energy: -1918.640
where: short stacking energy: -817.868
Base-Backbone interact. energy: -3.106
local terms energy: -867.512896
where:
bonds (distance) C4'-P energy: -166.942
bonds (distance) P-C4' energy: -152.363
flat angles C4'-P-C4' energy: -175.643
flat angles P-C4'-P energy: -127.484
tors. eta vs tors. theta energy: -245.081
Dist. restrs. and SS energy: 0.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -2591.442757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.442757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.080801 (E_RNA)
where:
Base-Base interactions energy: -1758.215
where: short stacking energy: -740.870
Base-Backbone interact. energy: -1.057
local terms energy: -833.808232
where:
bonds (distance) C4'-P energy: -160.010
bonds (distance) P-C4' energy: -154.315
flat angles C4'-P-C4' energy: -184.379
flat angles P-C4'-P energy: -119.493
tors. eta vs tors. theta energy: -215.611
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: 2
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -2567.947407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.947407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.246678 (E_RNA)
where:
Base-Base interactions energy: -1734.771
where: short stacking energy: -755.993
Base-Backbone interact. energy: -2.075
local terms energy: -834.400861
where:
bonds (distance) C4'-P energy: -150.533
bonds (distance) P-C4' energy: -153.777
flat angles C4'-P-C4' energy: -179.301
flat angles P-C4'-P energy: -128.172
tors. eta vs tors. theta energy: -222.619
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: 4, replica: 7
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -2371.430277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.430277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.055254 (E_RNA)
where:
Base-Base interactions energy: -1609.555
where: short stacking energy: -684.771
Base-Backbone interact. energy: 3.208
local terms energy: -766.709070
where:
bonds (distance) C4'-P energy: -144.109
bonds (distance) P-C4' energy: -150.204
flat angles C4'-P-C4' energy: -166.087
flat angles P-C4'-P energy: -105.483
tors. eta vs tors. theta energy: -200.827
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: 5, replica: 6
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -2332.351981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.351981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.626564 (E_RNA)
where:
Base-Base interactions energy: -1563.907
where: short stacking energy: -695.204
Base-Backbone interact. energy: -1.066
local terms energy: -768.653505
where:
bonds (distance) C4'-P energy: -141.308
bonds (distance) P-C4' energy: -149.368
flat angles C4'-P-C4' energy: -171.518
flat angles P-C4'-P energy: -106.052
tors. eta vs tors. theta energy: -200.408
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: 6, replica: 1
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -2144.278356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.278356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.377463 (E_RNA)
where:
Base-Base interactions energy: -1450.364
where: short stacking energy: -618.542
Base-Backbone interact. energy: -0.779
local terms energy: -694.234226
where:
bonds (distance) C4'-P energy: -158.700
bonds (distance) P-C4' energy: -145.296
flat angles C4'-P-C4' energy: -141.721
flat angles P-C4'-P energy: -78.267
tors. eta vs tors. theta energy: -170.251
Dist. restrs. and SS energy: 1.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -2109.263417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.263417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.282384 (E_RNA)
where:
Base-Base interactions energy: -1468.112
where: short stacking energy: -622.445
Base-Backbone interact. energy: 9.784
local terms energy: -652.954249
where:
bonds (distance) C4'-P energy: -114.830
bonds (distance) P-C4' energy: -129.512
flat angles C4'-P-C4' energy: -137.250
flat angles P-C4'-P energy: -86.912
tors. eta vs tors. theta energy: -184.450
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: 3
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -1976.570914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.570914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.661768 (E_RNA)
where:
Base-Base interactions energy: -1319.294
where: short stacking energy: -568.928
Base-Backbone interact. energy: -1.534
local terms energy: -658.833527
where:
bonds (distance) C4'-P energy: -148.792
bonds (distance) P-C4' energy: -139.977
flat angles C4'-P-C4' energy: -140.131
flat angles P-C4'-P energy: -79.061
tors. eta vs tors. theta energy: -150.872
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: 9, replica: 10
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -1948.634566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.634566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.726831 (E_RNA)
where:
Base-Base interactions energy: -1324.703
where: short stacking energy: -561.543
Base-Backbone interact. energy: -3.278
local terms energy: -622.746379
where:
bonds (distance) C4'-P energy: -137.789
bonds (distance) P-C4' energy: -116.257
flat angles C4'-P-C4' energy: -144.918
flat angles P-C4'-P energy: -95.395
tors. eta vs tors. theta energy: -128.388
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: 10, replica: 5
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -1823.693077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.693077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.037577 (E_RNA)
where:
Base-Base interactions energy: -1234.044
where: short stacking energy: -510.635
Base-Backbone interact. energy: 3.533
local terms energy: -598.526299
where:
bonds (distance) C4'-P energy: -123.322
bonds (distance) P-C4' energy: -140.498
flat angles C4'-P-C4' energy: -137.726
flat angles P-C4'-P energy: -78.144
tors. eta vs tors. theta energy: -118.837
Dist. restrs. and SS energy: 5.344 (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: 66
Temperature: 0.900000
Total energy: -2795.354912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.354912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.164441 (E_RNA)
where:
Base-Base interactions energy: -1914.648
where: short stacking energy: -816.373
Base-Backbone interact. energy: -1.150
local terms energy: -881.366472
where:
bonds (distance) C4'-P energy: -171.353
bonds (distance) P-C4' energy: -166.294
flat angles C4'-P-C4' energy: -177.912
flat angles P-C4'-P energy: -121.553
tors. eta vs tors. theta energy: -244.254
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: 2, replica: 4
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -2596.111757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.111757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.270998 (E_RNA)
where:
Base-Base interactions energy: -1772.098
where: short stacking energy: -768.279
Base-Backbone interact. energy: -2.536
local terms energy: -822.637060
where:
bonds (distance) C4'-P energy: -149.243
bonds (distance) P-C4' energy: -150.953
flat angles C4'-P-C4' energy: -185.004
flat angles P-C4'-P energy: -117.938
tors. eta vs tors. theta energy: -219.499
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: 3, replica: 2
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -2545.528445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.528445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.925486 (E_RNA)
where:
Base-Base interactions energy: -1731.111
where: short stacking energy: -741.701
Base-Backbone interact. energy: -2.648
local terms energy: -813.165791
where:
bonds (distance) C4'-P energy: -149.988
bonds (distance) P-C4' energy: -153.952
flat angles C4'-P-C4' energy: -171.668
flat angles P-C4'-P energy: -132.459
tors. eta vs tors. theta energy: -205.098
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: 4, replica: 7
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -2379.924408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.924408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.148351 (E_RNA)
where:
Base-Base interactions energy: -1589.542
where: short stacking energy: -737.779
Base-Backbone interact. energy: -0.793
local terms energy: -791.813000
where:
bonds (distance) C4'-P energy: -143.170
bonds (distance) P-C4' energy: -153.238
flat angles C4'-P-C4' energy: -166.666
flat angles P-C4'-P energy: -122.712
tors. eta vs tors. theta energy: -206.027
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: 6
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -2298.579689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.579689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.924582 (E_RNA)
where:
Base-Base interactions energy: -1564.569
where: short stacking energy: -697.192
Base-Backbone interact. energy: -1.495
local terms energy: -733.860029
where:
bonds (distance) C4'-P energy: -137.593
bonds (distance) P-C4' energy: -137.185
flat angles C4'-P-C4' energy: -161.338
flat angles P-C4'-P energy: -114.822
tors. eta vs tors. theta energy: -182.922
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: 1
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -2207.700490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.700490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.501815 (E_RNA)
where:
Base-Base interactions energy: -1471.211
where: short stacking energy: -657.067
Base-Backbone interact. energy: -2.197
local terms energy: -737.093407
where:
bonds (distance) C4'-P energy: -147.304
bonds (distance) P-C4' energy: -149.024
flat angles C4'-P-C4' energy: -157.470
flat angles P-C4'-P energy: -100.827
tors. eta vs tors. theta energy: -182.469
Dist. restrs. and SS energy: 2.801 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -2164.116122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.116122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.535184 (E_RNA)
where:
Base-Base interactions energy: -1511.883
where: short stacking energy: -634.428
Base-Backbone interact. energy: 11.100
local terms energy: -665.752253
where:
bonds (distance) C4'-P energy: -115.353
bonds (distance) P-C4' energy: -134.802
flat angles C4'-P-C4' energy: -151.422
flat angles P-C4'-P energy: -94.750
tors. eta vs tors. theta energy: -169.426
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: 8, replica: 3
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -1954.453573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.453573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.954215 (E_RNA)
where:
Base-Base interactions energy: -1339.497
where: short stacking energy: -557.559
Base-Backbone interact. energy: 3.593
local terms energy: -622.049437
where:
bonds (distance) C4'-P energy: -131.515
bonds (distance) P-C4' energy: -134.096
flat angles C4'-P-C4' energy: -140.931
flat angles P-C4'-P energy: -74.726
tors. eta vs tors. theta energy: -140.782
Dist. restrs. and SS energy: 3.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -1925.583651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.583651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.813055 (E_RNA)
where:
Base-Base interactions energy: -1325.568
where: short stacking energy: -550.804
Base-Backbone interact. energy: 8.763
local terms energy: -613.008044
where:
bonds (distance) C4'-P energy: -124.139
bonds (distance) P-C4' energy: -122.834
flat angles C4'-P-C4' energy: -132.976
flat angles P-C4'-P energy: -84.747
tors. eta vs tors. theta energy: -148.311
Dist. restrs. and SS energy: 4.229 (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: 5
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -1922.757952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.757952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.125516 (E_RNA)
where:
Base-Base interactions energy: -1319.247
where: short stacking energy: -535.849
Base-Backbone interact. energy: 0.826
local terms energy: -607.704599
where:
bonds (distance) C4'-P energy: -117.284
bonds (distance) P-C4' energy: -131.359
flat angles C4'-P-C4' energy: -137.113
flat angles P-C4'-P energy: -89.018
tors. eta vs tors. theta energy: -132.931
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: 1, replica: 9
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -2773.676894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.676894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.407365 (E_RNA)
where:
Base-Base interactions energy: -1921.532
where: short stacking energy: -815.583
Base-Backbone interact. energy: 0.934
local terms energy: -855.809296
where:
bonds (distance) C4'-P energy: -162.837
bonds (distance) P-C4' energy: -154.073
flat angles C4'-P-C4' energy: -176.316
flat angles P-C4'-P energy: -111.805
tors. eta vs tors. theta energy: -250.778
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: 2, replica: 4
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -2592.819783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.819783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.494629 (E_RNA)
where:
Base-Base interactions energy: -1757.368
where: short stacking energy: -768.491
Base-Backbone interact. energy: -0.875
local terms energy: -836.251514
where:
bonds (distance) C4'-P energy: -158.779
bonds (distance) P-C4' energy: -165.090
flat angles C4'-P-C4' energy: -179.372
flat angles P-C4'-P energy: -123.633
tors. eta vs tors. theta energy: -209.377
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: 3, replica: 2
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -2550.247608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.247608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.668492 (E_RNA)
where:
Base-Base interactions energy: -1734.177
where: short stacking energy: -756.276
Base-Backbone interact. energy: -1.394
local terms energy: -816.096614
where:
bonds (distance) C4'-P energy: -142.956
bonds (distance) P-C4' energy: -152.860
flat angles C4'-P-C4' energy: -179.914
flat angles P-C4'-P energy: -117.500
tors. eta vs tors. theta energy: -222.866
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: 4, replica: 7
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -2394.880975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.880975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.773848 (E_RNA)
where:
Base-Base interactions energy: -1623.731
where: short stacking energy: -730.076
Base-Backbone interact. energy: -0.159
local terms energy: -772.884325
where:
bonds (distance) C4'-P energy: -144.543
bonds (distance) P-C4' energy: -153.178
flat angles C4'-P-C4' energy: -171.437
flat angles P-C4'-P energy: -95.273
tors. eta vs tors. theta energy: -208.454
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: 5, replica: 6
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -2314.440902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.440902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.293079 (E_RNA)
where:
Base-Base interactions energy: -1556.552
where: short stacking energy: -681.228
Base-Backbone interact. energy: -2.841
local terms energy: -758.900246
where:
bonds (distance) C4'-P energy: -151.369
bonds (distance) P-C4' energy: -148.305
flat angles C4'-P-C4' energy: -175.112
flat angles P-C4'-P energy: -96.155
tors. eta vs tors. theta energy: -187.958
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: 6, replica: 1
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -2182.868686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.868686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.524355 (E_RNA)
where:
Base-Base interactions energy: -1520.245
where: short stacking energy: -633.587
Base-Backbone interact. energy: 5.078
local terms energy: -669.357100
where:
bonds (distance) C4'-P energy: -124.603
bonds (distance) P-C4' energy: -132.110
flat angles C4'-P-C4' energy: -155.311
flat angles P-C4'-P energy: -95.022
tors. eta vs tors. theta energy: -162.310
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: 8
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -2070.355655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.355655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.039114 (E_RNA)
where:
Base-Base interactions energy: -1417.543
where: short stacking energy: -613.765
Base-Backbone interact. energy: 1.428
local terms energy: -656.924296
where:
bonds (distance) C4'-P energy: -127.138
bonds (distance) P-C4' energy: -126.501
flat angles C4'-P-C4' energy: -150.038
flat angles P-C4'-P energy: -87.430
tors. eta vs tors. theta energy: -165.818
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: 8, replica: 3
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -2017.611098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.611098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.794226 (E_RNA)
where:
Base-Base interactions energy: -1360.660
where: short stacking energy: -606.241
Base-Backbone interact. energy: 2.795
local terms energy: -661.929402
where:
bonds (distance) C4'-P energy: -134.572
bonds (distance) P-C4' energy: -135.635
flat angles C4'-P-C4' energy: -142.990
flat angles P-C4'-P energy: -99.220
tors. eta vs tors. theta energy: -149.513
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: 9, replica: 10
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -1948.482839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.482839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.689154 (E_RNA)
where:
Base-Base interactions energy: -1356.740
where: short stacking energy: -592.760
Base-Backbone interact. energy: 3.116
local terms energy: -598.064553
where:
bonds (distance) C4'-P energy: -108.581
bonds (distance) P-C4' energy: -128.713
flat angles C4'-P-C4' energy: -131.865
flat angles P-C4'-P energy: -76.232
tors. eta vs tors. theta energy: -152.673
Dist. restrs. and SS energy: 3.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -1860.752650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.752650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.931955 (E_RNA)
where:
Base-Base interactions energy: -1256.833
where: short stacking energy: -523.040
Base-Backbone interact. energy: -4.404
local terms energy: -602.694753
where:
bonds (distance) C4'-P energy: -118.981
bonds (distance) P-C4' energy: -146.744
flat angles C4'-P-C4' energy: -127.566
flat angles P-C4'-P energy: -75.472
tors. eta vs tors. theta energy: -133.932
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: 1, replica: 9
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -2791.327109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.327109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.706972 (E_RNA)
where:
Base-Base interactions energy: -1907.062
where: short stacking energy: -826.070
Base-Backbone interact. energy: -2.815
local terms energy: -882.830850
where:
bonds (distance) C4'-P energy: -160.572
bonds (distance) P-C4' energy: -157.784
flat angles C4'-P-C4' energy: -186.647
flat angles P-C4'-P energy: -130.444
tors. eta vs tors. theta energy: -247.383
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: 2, replica: 4
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -2568.298776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.298776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.145508 (E_RNA)
where:
Base-Base interactions energy: -1739.277
where: short stacking energy: -761.234
Base-Backbone interact. energy: -2.714
local terms energy: -828.155152
where:
bonds (distance) C4'-P energy: -155.600
bonds (distance) P-C4' energy: -155.921
flat angles C4'-P-C4' energy: -182.927
flat angles P-C4'-P energy: -118.190
tors. eta vs tors. theta energy: -215.517
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: 2
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -2563.984116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.984116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.447519 (E_RNA)
where:
Base-Base interactions energy: -1748.917
where: short stacking energy: -761.549
Base-Backbone interact. energy: -0.301
local terms energy: -816.230153
where:
bonds (distance) C4'-P energy: -165.726
bonds (distance) P-C4' energy: -155.717
flat angles C4'-P-C4' energy: -169.539
flat angles P-C4'-P energy: -109.754
tors. eta vs tors. theta energy: -215.494
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: 4, replica: 7
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -2418.427500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.427500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.032793 (E_RNA)
where:
Base-Base interactions energy: -1608.493
where: short stacking energy: -707.800
Base-Backbone interact. energy: -1.901
local terms energy: -809.638507
where:
bonds (distance) C4'-P energy: -165.456
bonds (distance) P-C4' energy: -157.214
flat angles C4'-P-C4' energy: -177.366
flat angles P-C4'-P energy: -100.937
tors. eta vs tors. theta energy: -208.666
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: 5, replica: 6
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -2289.707914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.707914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.000547 (E_RNA)
where:
Base-Base interactions energy: -1552.469
where: short stacking energy: -647.462
Base-Backbone interact. energy: 3.215
local terms energy: -742.745669
where:
bonds (distance) C4'-P energy: -140.423
bonds (distance) P-C4' energy: -147.799
flat angles C4'-P-C4' energy: -169.342
flat angles P-C4'-P energy: -96.942
tors. eta vs tors. theta energy: -188.241
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: 6, replica: 1
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -2152.541979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.541979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.206406 (E_RNA)
where:
Base-Base interactions energy: -1455.872
where: short stacking energy: -606.611
Base-Backbone interact. energy: 6.746
local terms energy: -705.079951
where:
bonds (distance) C4'-P energy: -142.407
bonds (distance) P-C4' energy: -127.506
flat angles C4'-P-C4' energy: -152.037
flat angles P-C4'-P energy: -109.896
tors. eta vs tors. theta energy: -173.232
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: 7, replica: 8
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -2169.579596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.579596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.291208 (E_RNA)
where:
Base-Base interactions energy: -1449.050
where: short stacking energy: -640.136
Base-Backbone interact. energy: 4.607
local terms energy: -727.848451
where:
bonds (distance) C4'-P energy: -137.662
bonds (distance) P-C4' energy: -147.737
flat angles C4'-P-C4' energy: -162.462
flat angles P-C4'-P energy: -91.713
tors. eta vs tors. theta energy: -188.274
Dist. restrs. and SS energy: 2.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -1988.012591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.012591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.250231 (E_RNA)
where:
Base-Base interactions energy: -1345.695
where: short stacking energy: -552.243
Base-Backbone interact. energy: -3.307
local terms energy: -641.248654
where:
bonds (distance) C4'-P energy: -132.568
bonds (distance) P-C4' energy: -138.838
flat angles C4'-P-C4' energy: -129.676
flat angles P-C4'-P energy: -85.126
tors. eta vs tors. theta energy: -155.042
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: 9, replica: 5
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -1913.935617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.935617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.031031 (E_RNA)
where:
Base-Base interactions energy: -1295.422
where: short stacking energy: -538.616
Base-Backbone interact. energy: -2.388
local terms energy: -619.221186
where:
bonds (distance) C4'-P energy: -130.314
bonds (distance) P-C4' energy: -119.201
flat angles C4'-P-C4' energy: -135.896
flat angles P-C4'-P energy: -97.806
tors. eta vs tors. theta energy: -136.003
Dist. restrs. and SS energy: 3.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -1868.308839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.308839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.303360 (E_RNA)
where:
Base-Base interactions energy: -1288.543
where: short stacking energy: -512.630
Base-Backbone interact. energy: 4.907
local terms energy: -587.666999
where:
bonds (distance) C4'-P energy: -125.800
bonds (distance) P-C4' energy: -138.874
flat angles C4'-P-C4' energy: -124.838
flat angles P-C4'-P energy: -69.169
tors. eta vs tors. theta energy: -128.986
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: 1, replica: 9
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -2798.939535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.939535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.121314 (E_RNA)
where:
Base-Base interactions energy: -1930.654
where: short stacking energy: -806.997
Base-Backbone interact. energy: -0.430
local terms energy: -869.037438
where:
bonds (distance) C4'-P energy: -154.673
bonds (distance) P-C4' energy: -170.244
flat angles C4'-P-C4' energy: -190.320
flat angles P-C4'-P energy: -115.220
tors. eta vs tors. theta energy: -238.579
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: 4
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -2604.388202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.388202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.718200 (E_RNA)
where:
Base-Base interactions energy: -1778.940
where: short stacking energy: -773.454
Base-Backbone interact. energy: -2.321
local terms energy: -824.457040
where:
bonds (distance) C4'-P energy: -166.444
bonds (distance) P-C4' energy: -153.840
flat angles C4'-P-C4' energy: -164.426
flat angles P-C4'-P energy: -114.414
tors. eta vs tors. theta energy: -225.332
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: 3, replica: 2
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -2546.018137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.018137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.528576 (E_RNA)
where:
Base-Base interactions energy: -1746.212
where: short stacking energy: -760.417
Base-Backbone interact. energy: 0.535
local terms energy: -801.852146
where:
bonds (distance) C4'-P energy: -144.530
bonds (distance) P-C4' energy: -145.216
flat angles C4'-P-C4' energy: -179.156
flat angles P-C4'-P energy: -117.656
tors. eta vs tors. theta energy: -215.294
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: 4, replica: 7
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -2400.942030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.942030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.775979 (E_RNA)
where:
Base-Base interactions energy: -1648.525
where: short stacking energy: -712.679
Base-Backbone interact. energy: -0.377
local terms energy: -753.873723
where:
bonds (distance) C4'-P energy: -143.868
bonds (distance) P-C4' energy: -155.145
flat angles C4'-P-C4' energy: -161.911
flat angles P-C4'-P energy: -91.713
tors. eta vs tors. theta energy: -201.237
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: 5, replica: 6
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -2329.199990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.199990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.609527 (E_RNA)
where:
Base-Base interactions energy: -1568.364
where: short stacking energy: -690.591
Base-Backbone interact. energy: -0.516
local terms energy: -761.729604
where:
bonds (distance) C4'-P energy: -150.524
bonds (distance) P-C4' energy: -143.204
flat angles C4'-P-C4' energy: -169.498
flat angles P-C4'-P energy: -98.650
tors. eta vs tors. theta energy: -199.854
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: 6, replica: 1
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -2142.758995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.758995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.546856 (E_RNA)
where:
Base-Base interactions energy: -1484.079
where: short stacking energy: -629.493
Base-Backbone interact. energy: 3.021
local terms energy: -663.488722
where:
bonds (distance) C4'-P energy: -129.906
bonds (distance) P-C4' energy: -128.656
flat angles C4'-P-C4' energy: -138.525
flat angles P-C4'-P energy: -104.961
tors. eta vs tors. theta energy: -161.441
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: 7, replica: 8
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -2095.899788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.899788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.665962 (E_RNA)
where:
Base-Base interactions energy: -1397.830
where: short stacking energy: -589.824
Base-Backbone interact. energy: -4.789
local terms energy: -696.047751
where:
bonds (distance) C4'-P energy: -134.828
bonds (distance) P-C4' energy: -134.421
flat angles C4'-P-C4' energy: -156.492
flat angles P-C4'-P energy: -98.477
tors. eta vs tors. theta energy: -171.829
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: 8, replica: 3
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -2021.394030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.394030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.001677 (E_RNA)
where:
Base-Base interactions energy: -1353.888
where: short stacking energy: -579.260
Base-Backbone interact. energy: 4.566
local terms energy: -673.679771
where:
bonds (distance) C4'-P energy: -139.187
bonds (distance) P-C4' energy: -138.119
flat angles C4'-P-C4' energy: -154.581
flat angles P-C4'-P energy: -90.614
tors. eta vs tors. theta energy: -151.179
Dist. restrs. and SS energy: 1.608 (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: 5
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -1994.161560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.161560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.521706 (E_RNA)
where:
Base-Base interactions energy: -1347.902
where: short stacking energy: -559.626
Base-Backbone interact. energy: -3.618
local terms energy: -645.001473
where:
bonds (distance) C4'-P energy: -147.997
bonds (distance) P-C4' energy: -136.514
flat angles C4'-P-C4' energy: -137.555
flat angles P-C4'-P energy: -72.083
tors. eta vs tors. theta energy: -150.852
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: 10, replica: 10
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -1877.766034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.766034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.013495 (E_RNA)
where:
Base-Base interactions energy: -1241.636
where: short stacking energy: -519.949
Base-Backbone interact. energy: -1.388
local terms energy: -637.989824
where:
bonds (distance) C4'-P energy: -123.349
bonds (distance) P-C4' energy: -150.027
flat angles C4'-P-C4' energy: -136.523
flat angles P-C4'-P energy: -91.011
tors. eta vs tors. theta energy: -137.079
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: 1, replica: 9
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -2846.725400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2846.725400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2847.966862 (E_RNA)
where:
Base-Base interactions energy: -1959.429
where: short stacking energy: -840.982
Base-Backbone interact. energy: -0.576
local terms energy: -887.962156
where:
bonds (distance) C4'-P energy: -153.450
bonds (distance) P-C4' energy: -167.680
flat angles C4'-P-C4' energy: -191.563
flat angles P-C4'-P energy: -131.312
tors. eta vs tors. theta energy: -243.957
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: 2, replica: 4
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -2642.042254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.042254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.007655 (E_RNA)
where:
Base-Base interactions energy: -1784.144
where: short stacking energy: -767.129
Base-Backbone interact. energy: 1.265
local terms energy: -860.128835
where:
bonds (distance) C4'-P energy: -148.763
bonds (distance) P-C4' energy: -170.272
flat angles C4'-P-C4' energy: -186.497
flat angles P-C4'-P energy: -124.425
tors. eta vs tors. theta energy: -230.172
Dist. restrs. and SS energy: 0.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -2507.827001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.827001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.316434 (E_RNA)
where:
Base-Base interactions energy: -1677.026
where: short stacking energy: -736.013
Base-Backbone interact. energy: -3.146
local terms energy: -830.144490
where:
bonds (distance) C4'-P energy: -155.990
bonds (distance) P-C4' energy: -147.563
flat angles C4'-P-C4' energy: -181.013
flat angles P-C4'-P energy: -131.725
tors. eta vs tors. theta energy: -213.854
Dist. restrs. and SS energy: 2.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -2418.632371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.632371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.128458 (E_RNA)
where:
Base-Base interactions energy: -1660.561
where: short stacking energy: -716.574
Base-Backbone interact. energy: 2.870
local terms energy: -763.437168
where:
bonds (distance) C4'-P energy: -152.452
bonds (distance) P-C4' energy: -138.499
flat angles C4'-P-C4' energy: -159.869
flat angles P-C4'-P energy: -106.382
tors. eta vs tors. theta energy: -206.234
Dist. restrs. and SS energy: 2.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -2334.415588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.415588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.140025 (E_RNA)
where:
Base-Base interactions energy: -1593.774
where: short stacking energy: -697.478
Base-Backbone interact. energy: 1.430
local terms energy: -743.795487
where:
bonds (distance) C4'-P energy: -141.918
bonds (distance) P-C4' energy: -143.949
flat angles C4'-P-C4' energy: -164.675
flat angles P-C4'-P energy: -105.005
tors. eta vs tors. theta energy: -188.248
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: 6, replica: 1
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -2125.344250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.344250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.803853 (E_RNA)
where:
Base-Base interactions energy: -1415.429
where: short stacking energy: -610.147
Base-Backbone interact. energy: 9.827
local terms energy: -723.201126
where:
bonds (distance) C4'-P energy: -128.932
bonds (distance) P-C4' energy: -146.336
flat angles C4'-P-C4' energy: -170.584
flat angles P-C4'-P energy: -106.308
tors. eta vs tors. theta energy: -171.041
Dist. restrs. and SS energy: 3.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -2075.446176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.446176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.306099 (E_RNA)
where:
Base-Base interactions energy: -1420.962
where: short stacking energy: -612.906
Base-Backbone interact. energy: 6.974
local terms energy: -663.318300
where:
bonds (distance) C4'-P energy: -126.640
bonds (distance) P-C4' energy: -138.576
flat angles C4'-P-C4' energy: -158.170
flat angles P-C4'-P energy: -80.083
tors. eta vs tors. theta energy: -159.849
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: 8, replica: 3
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -1989.182496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.182496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.847140 (E_RNA)
where:
Base-Base interactions energy: -1346.095
where: short stacking energy: -546.969
Base-Backbone interact. energy: 2.580
local terms energy: -648.332069
where:
bonds (distance) C4'-P energy: -133.298
bonds (distance) P-C4' energy: -132.279
flat angles C4'-P-C4' energy: -149.706
flat angles P-C4'-P energy: -93.057
tors. eta vs tors. theta energy: -139.992
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: 9, replica: 10
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -1964.247781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.247781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.404963 (E_RNA)
where:
Base-Base interactions energy: -1330.008
where: short stacking energy: -567.192
Base-Backbone interact. energy: -4.091
local terms energy: -632.306267
where:
bonds (distance) C4'-P energy: -101.185
bonds (distance) P-C4' energy: -120.562
flat angles C4'-P-C4' energy: -164.866
flat angles P-C4'-P energy: -98.858
tors. eta vs tors. theta energy: -146.836
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: 10, replica: 5
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -1867.347534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.347534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.450636 (E_RNA)
where:
Base-Base interactions energy: -1271.524
where: short stacking energy: -522.084
Base-Backbone interact. energy: 5.765
local terms energy: -604.691350
where:
bonds (distance) C4'-P energy: -148.862
bonds (distance) P-C4' energy: -111.713
flat angles C4'-P-C4' energy: -118.143
flat angles P-C4'-P energy: -88.885
tors. eta vs tors. theta energy: -137.088
Dist. restrs. and SS energy: 3.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -2799.295642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.295642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.837406 (E_RNA)
where:
Base-Base interactions energy: -1922.594
where: short stacking energy: -817.766
Base-Backbone interact. energy: 0.896
local terms energy: -879.140371
where:
bonds (distance) C4'-P energy: -160.212
bonds (distance) P-C4' energy: -178.542
flat angles C4'-P-C4' energy: -174.182
flat angles P-C4'-P energy: -129.062
tors. eta vs tors. theta energy: -237.143
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: 2, replica: 4
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -2650.582113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.582113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.864649 (E_RNA)
where:
Base-Base interactions energy: -1800.522
where: short stacking energy: -777.781
Base-Backbone interact. energy: -1.472
local terms energy: -850.870166
where:
bonds (distance) C4'-P energy: -150.487
bonds (distance) P-C4' energy: -168.897
flat angles C4'-P-C4' energy: -178.321
flat angles P-C4'-P energy: -130.876
tors. eta vs tors. theta energy: -222.289
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: 3, replica: 2
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -2533.762302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.762302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.141780 (E_RNA)
where:
Base-Base interactions energy: -1752.380
where: short stacking energy: -770.717
Base-Backbone interact. energy: 5.100
local terms energy: -787.861676
where:
bonds (distance) C4'-P energy: -129.834
bonds (distance) P-C4' energy: -160.158
flat angles C4'-P-C4' energy: -168.309
flat angles P-C4'-P energy: -120.519
tors. eta vs tors. theta energy: -209.043
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: 4, replica: 7
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -2407.181818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.181818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.425936 (E_RNA)
where:
Base-Base interactions energy: -1615.478
where: short stacking energy: -685.794
Base-Backbone interact. energy: 3.967
local terms energy: -797.915350
where:
bonds (distance) C4'-P energy: -154.339
bonds (distance) P-C4' energy: -157.652
flat angles C4'-P-C4' energy: -174.872
flat angles P-C4'-P energy: -109.271
tors. eta vs tors. theta energy: -201.780
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: 6
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -2300.332975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.332975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.723228 (E_RNA)
where:
Base-Base interactions energy: -1539.289
where: short stacking energy: -682.332
Base-Backbone interact. energy: -1.792
local terms energy: -761.642051
where:
bonds (distance) C4'-P energy: -149.541
bonds (distance) P-C4' energy: -137.435
flat angles C4'-P-C4' energy: -181.164
flat angles P-C4'-P energy: -93.194
tors. eta vs tors. theta energy: -200.308
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: 6, replica: 1
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -2168.814429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.814429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.987473 (E_RNA)
where:
Base-Base interactions energy: -1451.220
where: short stacking energy: -632.039
Base-Backbone interact. energy: -2.561
local terms energy: -722.206363
where:
bonds (distance) C4'-P energy: -148.180
bonds (distance) P-C4' energy: -142.475
flat angles C4'-P-C4' energy: -169.177
flat angles P-C4'-P energy: -99.634
tors. eta vs tors. theta energy: -162.740
Dist. restrs. and SS energy: 7.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -2107.763957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.763957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.070647 (E_RNA)
where:
Base-Base interactions energy: -1412.884
where: short stacking energy: -604.820
Base-Backbone interact. energy: 3.958
local terms energy: -702.144911
where:
bonds (distance) C4'-P energy: -137.442
bonds (distance) P-C4' energy: -131.254
flat angles C4'-P-C4' energy: -162.924
flat angles P-C4'-P energy: -100.860
tors. eta vs tors. theta energy: -169.666
Dist. restrs. and SS energy: 3.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -2014.202100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.202100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.027301 (E_RNA)
where:
Base-Base interactions energy: -1373.808
where: short stacking energy: -595.119
Base-Backbone interact. energy: -2.422
local terms energy: -640.797571
where:
bonds (distance) C4'-P energy: -121.881
bonds (distance) P-C4' energy: -119.364
flat angles C4'-P-C4' energy: -133.882
flat angles P-C4'-P energy: -101.624
tors. eta vs tors. theta energy: -164.046
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: 9, replica: 3
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -1915.580191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.580191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.916416 (E_RNA)
where:
Base-Base interactions energy: -1300.896
where: short stacking energy: -542.365
Base-Backbone interact. energy: -1.803
local terms energy: -615.218286
where:
bonds (distance) C4'-P energy: -107.549
bonds (distance) P-C4' energy: -146.126
flat angles C4'-P-C4' energy: -148.624
flat angles P-C4'-P energy: -70.306
tors. eta vs tors. theta energy: -142.613
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: 10, replica: 5
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -1841.888973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.888973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.310050 (E_RNA)
where:
Base-Base interactions energy: -1241.250
where: short stacking energy: -523.446
Base-Backbone interact. energy: 3.014
local terms energy: -607.073670
where:
bonds (distance) C4'-P energy: -134.488
bonds (distance) P-C4' energy: -128.955
flat angles C4'-P-C4' energy: -141.080
flat angles P-C4'-P energy: -72.744
tors. eta vs tors. theta energy: -129.807
Dist. restrs. and SS energy: 3.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -2777.352627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.352627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.582370 (E_RNA)
where:
Base-Base interactions energy: -1926.887
where: short stacking energy: -826.823
Base-Backbone interact. energy: 0.867
local terms energy: -852.562616
where:
bonds (distance) C4'-P energy: -140.249
bonds (distance) P-C4' energy: -163.197
flat angles C4'-P-C4' energy: -185.779
flat angles P-C4'-P energy: -125.860
tors. eta vs tors. theta energy: -237.478
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: 2, replica: 4
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -2640.935651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.935651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.715908 (E_RNA)
where:
Base-Base interactions energy: -1816.615
where: short stacking energy: -778.684
Base-Backbone interact. energy: 0.796
local terms energy: -827.896737
where:
bonds (distance) C4'-P energy: -159.658
bonds (distance) P-C4' energy: -158.375
flat angles C4'-P-C4' energy: -171.496
flat angles P-C4'-P energy: -120.600
tors. eta vs tors. theta energy: -217.768
Dist. restrs. and SS energy: 2.780 (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: 2
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -2497.182596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.182596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.204793 (E_RNA)
where:
Base-Base interactions energy: -1702.079
where: short stacking energy: -727.223
Base-Backbone interact. energy: 1.608
local terms energy: -798.733466
where:
bonds (distance) C4'-P energy: -138.969
bonds (distance) P-C4' energy: -173.058
flat angles C4'-P-C4' energy: -169.041
flat angles P-C4'-P energy: -109.975
tors. eta vs tors. theta energy: -207.691
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: 7
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -2396.500603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.500603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.175699 (E_RNA)
where:
Base-Base interactions energy: -1606.917
where: short stacking energy: -708.386
Base-Backbone interact. energy: -2.323
local terms energy: -788.934793
where:
bonds (distance) C4'-P energy: -140.358
bonds (distance) P-C4' energy: -168.058
flat angles C4'-P-C4' energy: -164.797
flat angles P-C4'-P energy: -112.279
tors. eta vs tors. theta energy: -203.442
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: 72
Temperature: 1.100000
Total energy: -2286.464742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.464742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.446167 (E_RNA)
where:
Base-Base interactions energy: -1538.227
where: short stacking energy: -668.815
Base-Backbone interact. energy: -4.232
local terms energy: -745.987165
where:
bonds (distance) C4'-P energy: -150.963
bonds (distance) P-C4' energy: -145.996
flat angles C4'-P-C4' energy: -155.126
flat angles P-C4'-P energy: -101.374
tors. eta vs tors. theta energy: -192.529
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: 1
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -2151.851266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.851266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.422511 (E_RNA)
where:
Base-Base interactions energy: -1450.927
where: short stacking energy: -646.191
Base-Backbone interact. energy: -0.759
local terms energy: -702.736421
where:
bonds (distance) C4'-P energy: -138.229
bonds (distance) P-C4' energy: -152.370
flat angles C4'-P-C4' energy: -147.648
flat angles P-C4'-P energy: -107.924
tors. eta vs tors. theta energy: -156.565
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: 7, replica: 8
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -2146.283485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.283485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.901535 (E_RNA)
where:
Base-Base interactions energy: -1463.999
where: short stacking energy: -624.015
Base-Backbone interact. energy: 5.233
local terms energy: -689.135637
where:
bonds (distance) C4'-P energy: -130.366
bonds (distance) P-C4' energy: -134.597
flat angles C4'-P-C4' energy: -155.185
flat angles P-C4'-P energy: -98.378
tors. eta vs tors. theta energy: -170.610
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: 8, replica: 10
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -2008.683262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.683262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.470358 (E_RNA)
where:
Base-Base interactions energy: -1360.014
where: short stacking energy: -545.594
Base-Backbone interact. energy: -3.171
local terms energy: -647.285933
where:
bonds (distance) C4'-P energy: -130.885
bonds (distance) P-C4' energy: -146.391
flat angles C4'-P-C4' energy: -151.582
flat angles P-C4'-P energy: -86.491
tors. eta vs tors. theta energy: -131.937
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: 9, replica: 3
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -1917.553969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.553969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.750639 (E_RNA)
where:
Base-Base interactions energy: -1297.255
where: short stacking energy: -558.958
Base-Backbone interact. energy: -3.161
local terms energy: -621.334934
where:
bonds (distance) C4'-P energy: -130.111
bonds (distance) P-C4' energy: -136.825
flat angles C4'-P-C4' energy: -129.009
flat angles P-C4'-P energy: -82.025
tors. eta vs tors. theta energy: -143.366
Dist. restrs. and SS energy: 4.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -1885.743231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.743231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.033530 (E_RNA)
where:
Base-Base interactions energy: -1245.276
where: short stacking energy: -562.773
Base-Backbone interact. energy: 3.373
local terms energy: -646.130379
where:
bonds (distance) C4'-P energy: -130.160
bonds (distance) P-C4' energy: -123.617
flat angles C4'-P-C4' energy: -144.507
flat angles P-C4'-P energy: -99.365
tors. eta vs tors. theta energy: -148.481
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: 1, replica: 9
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -2800.513096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.513096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.530495 (E_RNA)
where:
Base-Base interactions energy: -1923.376
where: short stacking energy: -808.342
Base-Backbone interact. energy: -3.245
local terms energy: -874.909548
where:
bonds (distance) C4'-P energy: -160.254
bonds (distance) P-C4' energy: -164.278
flat angles C4'-P-C4' energy: -175.711
flat angles P-C4'-P energy: -137.322
tors. eta vs tors. theta energy: -237.344
Dist. restrs. and SS energy: 1.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -2617.988594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.988594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.467404 (E_RNA)
where:
Base-Base interactions energy: -1783.292
where: short stacking energy: -784.094
Base-Backbone interact. energy: -0.831
local terms energy: -836.344803
where:
bonds (distance) C4'-P energy: -157.906
bonds (distance) P-C4' energy: -162.318
flat angles C4'-P-C4' energy: -175.437
flat angles P-C4'-P energy: -108.983
tors. eta vs tors. theta energy: -231.702
Dist. restrs. and SS energy: 2.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -2494.653095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.653095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.343235 (E_RNA)
where:
Base-Base interactions energy: -1707.540
where: short stacking energy: -710.169
Base-Backbone interact. energy: -1.930
local terms energy: -786.873103
where:
bonds (distance) C4'-P energy: -141.932
bonds (distance) P-C4' energy: -165.331
flat angles C4'-P-C4' energy: -165.595
flat angles P-C4'-P energy: -120.303
tors. eta vs tors. theta energy: -193.714
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: 7
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -2414.586428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.586428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.102469 (E_RNA)
where:
Base-Base interactions energy: -1618.013
where: short stacking energy: -707.694
Base-Backbone interact. energy: -1.339
local terms energy: -797.750468
where:
bonds (distance) C4'-P energy: -148.718
bonds (distance) P-C4' energy: -162.921
flat angles C4'-P-C4' energy: -164.117
flat angles P-C4'-P energy: -107.780
tors. eta vs tors. theta energy: -214.214
Dist. restrs. and SS energy: 2.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -2263.720830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.720830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.319922 (E_RNA)
where:
Base-Base interactions energy: -1515.692
where: short stacking energy: -674.713
Base-Backbone interact. energy: -1.555
local terms energy: -748.073442
where:
bonds (distance) C4'-P energy: -127.596
bonds (distance) P-C4' energy: -158.863
flat angles C4'-P-C4' energy: -163.739
flat angles P-C4'-P energy: -123.461
tors. eta vs tors. theta energy: -174.414
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: 1
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -2204.601409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.601409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.696396 (E_RNA)
where:
Base-Base interactions energy: -1526.811
where: short stacking energy: -646.971
Base-Backbone interact. energy: 1.026
local terms energy: -679.912257
where:
bonds (distance) C4'-P energy: -137.054
bonds (distance) P-C4' energy: -126.176
flat angles C4'-P-C4' energy: -152.779
flat angles P-C4'-P energy: -98.559
tors. eta vs tors. theta energy: -165.344
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: 7, replica: 8
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -2067.381321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.381321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.485978 (E_RNA)
where:
Base-Base interactions energy: -1367.436
where: short stacking energy: -593.442
Base-Backbone interact. energy: -3.451
local terms energy: -699.599402
where:
bonds (distance) C4'-P energy: -143.062
bonds (distance) P-C4' energy: -151.134
flat angles C4'-P-C4' energy: -151.703
flat angles P-C4'-P energy: -99.134
tors. eta vs tors. theta energy: -154.567
Dist. restrs. and SS energy: 3.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -2011.511374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.511374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.474346 (E_RNA)
where:
Base-Base interactions energy: -1378.645
where: short stacking energy: -593.164
Base-Backbone interact. energy: 3.141
local terms energy: -637.970048
where:
bonds (distance) C4'-P energy: -126.231
bonds (distance) P-C4' energy: -123.260
flat angles C4'-P-C4' energy: -157.815
flat angles P-C4'-P energy: -81.807
tors. eta vs tors. theta energy: -148.859
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: 3
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -1898.912168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.912168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.770198 (E_RNA)
where:
Base-Base interactions energy: -1279.819
where: short stacking energy: -535.791
Base-Backbone interact. energy: 8.473
local terms energy: -633.424815
where:
bonds (distance) C4'-P energy: -123.619
bonds (distance) P-C4' energy: -148.589
flat angles C4'-P-C4' energy: -140.231
flat angles P-C4'-P energy: -91.985
tors. eta vs tors. theta energy: -129.002
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: 5
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -1854.237188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.237188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.029363 (E_RNA)
where:
Base-Base interactions energy: -1280.040
where: short stacking energy: -546.167
Base-Backbone interact. energy: -0.656
local terms energy: -577.332793
where:
bonds (distance) C4'-P energy: -118.326
bonds (distance) P-C4' energy: -117.404
flat angles C4'-P-C4' energy: -118.396
flat angles P-C4'-P energy: -90.501
tors. eta vs tors. theta energy: -132.706
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: 74
Temperature: 0.900000
Total energy: -2775.265241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.265241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.243413 (E_RNA)
where:
Base-Base interactions energy: -1902.524
where: short stacking energy: -807.994
Base-Backbone interact. energy: 0.631
local terms energy: -874.350495
where:
bonds (distance) C4'-P energy: -166.261
bonds (distance) P-C4' energy: -167.916
flat angles C4'-P-C4' energy: -178.147
flat angles P-C4'-P energy: -121.545
tors. eta vs tors. theta energy: -240.482
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: 74
Temperature: 0.950000
Total energy: -2637.728364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.728364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.918589 (E_RNA)
where:
Base-Base interactions energy: -1798.462
where: short stacking energy: -784.211
Base-Backbone interact. energy: 0.855
local terms energy: -842.311652
where:
bonds (distance) C4'-P energy: -151.946
bonds (distance) P-C4' energy: -162.299
flat angles C4'-P-C4' energy: -173.805
flat angles P-C4'-P energy: -124.758
tors. eta vs tors. theta energy: -229.503
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: 3, replica: 2
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -2524.230641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.230641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.980411 (E_RNA)
where:
Base-Base interactions energy: -1716.166
where: short stacking energy: -746.396
Base-Backbone interact. energy: 0.862
local terms energy: -810.677281
where:
bonds (distance) C4'-P energy: -154.201
bonds (distance) P-C4' energy: -155.309
flat angles C4'-P-C4' energy: -168.853
flat angles P-C4'-P energy: -134.193
tors. eta vs tors. theta energy: -198.121
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: 4, replica: 7
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -2508.812817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.812817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.010970 (E_RNA)
where:
Base-Base interactions energy: -1722.617
where: short stacking energy: -744.533
Base-Backbone interact. energy: 0.395
local terms energy: -788.788685
where:
bonds (distance) C4'-P energy: -158.378
bonds (distance) P-C4' energy: -145.264
flat angles C4'-P-C4' energy: -166.502
flat angles P-C4'-P energy: -115.002
tors. eta vs tors. theta energy: -203.642
Dist. restrs. and SS energy: 2.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -2257.804646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.804646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.380069 (E_RNA)
where:
Base-Base interactions energy: -1509.848
where: short stacking energy: -664.636
Base-Backbone interact. energy: -1.263
local terms energy: -748.269607
where:
bonds (distance) C4'-P energy: -153.180
bonds (distance) P-C4' energy: -140.744
flat angles C4'-P-C4' energy: -159.334
flat angles P-C4'-P energy: -107.764
tors. eta vs tors. theta energy: -187.248
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: 6, replica: 1
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -2231.396741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.396741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.354240 (E_RNA)
where:
Base-Base interactions energy: -1509.038
where: short stacking energy: -649.192
Base-Backbone interact. energy: -0.731
local terms energy: -723.585252
where:
bonds (distance) C4'-P energy: -166.436
bonds (distance) P-C4' energy: -135.469
flat angles C4'-P-C4' energy: -168.511
flat angles P-C4'-P energy: -76.981
tors. eta vs tors. theta energy: -176.189
Dist. restrs. and SS energy: 1.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -2061.939448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.939448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.295734 (E_RNA)
where:
Base-Base interactions energy: -1400.823
where: short stacking energy: -572.627
Base-Backbone interact. energy: 8.329
local terms energy: -671.801372
where:
bonds (distance) C4'-P energy: -135.327
bonds (distance) P-C4' energy: -129.622
flat angles C4'-P-C4' energy: -166.343
flat angles P-C4'-P energy: -95.195
tors. eta vs tors. theta energy: -145.314
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: 8, replica: 10
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -1990.385772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.385772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.000159 (E_RNA)
where:
Base-Base interactions energy: -1324.341
where: short stacking energy: -586.796
Base-Backbone interact. energy: 0.210
local terms energy: -669.868897
where:
bonds (distance) C4'-P energy: -129.610
bonds (distance) P-C4' energy: -121.826
flat angles C4'-P-C4' energy: -150.624
flat angles P-C4'-P energy: -102.728
tors. eta vs tors. theta energy: -165.081
Dist. restrs. and SS energy: 3.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -1936.865477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.865477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.237315 (E_RNA)
where:
Base-Base interactions energy: -1324.770
where: short stacking energy: -548.632
Base-Backbone interact. energy: 2.946
local terms energy: -617.413529
where:
bonds (distance) C4'-P energy: -131.350
bonds (distance) P-C4' energy: -130.213
flat angles C4'-P-C4' energy: -149.844
flat angles P-C4'-P energy: -79.435
tors. eta vs tors. theta energy: -126.572
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: 10, replica: 5
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -1876.017001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.017001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.074967 (E_RNA)
where:
Base-Base interactions energy: -1266.267
where: short stacking energy: -528.733
Base-Backbone interact. energy: 2.648
local terms energy: -615.455899
where:
bonds (distance) C4'-P energy: -121.644
bonds (distance) P-C4' energy: -122.774
flat angles C4'-P-C4' energy: -141.774
flat angles P-C4'-P energy: -90.808
tors. eta vs tors. theta energy: -138.456
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: 1, replica: 9
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -2793.103898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.103898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.405633 (E_RNA)
where:
Base-Base interactions energy: -1884.239
where: short stacking energy: -834.772
Base-Backbone interact. energy: -4.376
local terms energy: -905.790880
where:
bonds (distance) C4'-P energy: -167.122
bonds (distance) P-C4' energy: -165.169
flat angles C4'-P-C4' energy: -196.968
flat angles P-C4'-P energy: -128.529
tors. eta vs tors. theta energy: -248.003
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: 2, replica: 2
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -2643.781705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.781705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.075713 (E_RNA)
where:
Base-Base interactions energy: -1821.149
where: short stacking energy: -762.746
Base-Backbone interact. energy: -1.577
local terms energy: -822.350542
where:
bonds (distance) C4'-P energy: -157.860
bonds (distance) P-C4' energy: -155.375
flat angles C4'-P-C4' energy: -177.549
flat angles P-C4'-P energy: -114.641
tors. eta vs tors. theta energy: -216.924
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: 3, replica: 4
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -2531.780141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.780141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.224837 (E_RNA)
where:
Base-Base interactions energy: -1712.296
where: short stacking energy: -741.421
Base-Backbone interact. energy: 2.479
local terms energy: -823.407545
where:
bonds (distance) C4'-P energy: -158.492
bonds (distance) P-C4' energy: -164.148
flat angles C4'-P-C4' energy: -172.469
flat angles P-C4'-P energy: -112.098
tors. eta vs tors. theta energy: -216.200
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: 7
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -2425.453070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.453070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.177925 (E_RNA)
where:
Base-Base interactions energy: -1651.233
where: short stacking energy: -722.826
Base-Backbone interact. energy: -3.228
local terms energy: -773.716183
where:
bonds (distance) C4'-P energy: -139.716
bonds (distance) P-C4' energy: -158.400
flat angles C4'-P-C4' energy: -156.225
flat angles P-C4'-P energy: -112.738
tors. eta vs tors. theta energy: -206.638
Dist. restrs. and SS energy: 2.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -2251.634045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.634045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.799405 (E_RNA)
where:
Base-Base interactions energy: -1508.956
where: short stacking energy: -652.020
Base-Backbone interact. energy: 1.988
local terms energy: -746.831128
where:
bonds (distance) C4'-P energy: -155.308
bonds (distance) P-C4' energy: -123.734
flat angles C4'-P-C4' energy: -173.622
flat angles P-C4'-P energy: -111.086
tors. eta vs tors. theta energy: -183.082
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: 6, replica: 1
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -2176.342656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.342656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.498346 (E_RNA)
where:
Base-Base interactions energy: -1469.328
where: short stacking energy: -642.203
Base-Backbone interact. energy: -1.681
local terms energy: -707.488860
where:
bonds (distance) C4'-P energy: -121.824
bonds (distance) P-C4' energy: -137.091
flat angles C4'-P-C4' energy: -158.522
flat angles P-C4'-P energy: -105.303
tors. eta vs tors. theta energy: -184.748
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: 7, replica: 8
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -2044.562251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.562251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.048515 (E_RNA)
where:
Base-Base interactions energy: -1351.727
where: short stacking energy: -580.677
Base-Backbone interact. energy: -2.240
local terms energy: -694.081125
where:
bonds (distance) C4'-P energy: -126.080
bonds (distance) P-C4' energy: -149.842
flat angles C4'-P-C4' energy: -158.375
flat angles P-C4'-P energy: -109.149
tors. eta vs tors. theta energy: -150.635
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: 8, replica: 10
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -2013.221517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.221517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.650478 (E_RNA)
where:
Base-Base interactions energy: -1365.035
where: short stacking energy: -563.765
Base-Backbone interact. energy: 6.862
local terms energy: -657.476930
where:
bonds (distance) C4'-P energy: -147.932
bonds (distance) P-C4' energy: -132.631
flat angles C4'-P-C4' energy: -138.749
flat angles P-C4'-P energy: -86.669
tors. eta vs tors. theta energy: -151.496
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: 9, replica: 3
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -1916.084768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.084768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.437513 (E_RNA)
where:
Base-Base interactions energy: -1316.837
where: short stacking energy: -568.765
Base-Backbone interact. energy: 2.288
local terms energy: -603.888618
where:
bonds (distance) C4'-P energy: -104.916
bonds (distance) P-C4' energy: -136.994
flat angles C4'-P-C4' energy: -125.986
flat angles P-C4'-P energy: -91.558
tors. eta vs tors. theta energy: -144.435
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: 5
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -1870.735411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.735411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.451964 (E_RNA)
where:
Base-Base interactions energy: -1264.301
where: short stacking energy: -544.741
Base-Backbone interact. energy: 1.125
local terms energy: -610.275670
where:
bonds (distance) C4'-P energy: -119.508
bonds (distance) P-C4' energy: -137.580
flat angles C4'-P-C4' energy: -139.441
flat angles P-C4'-P energy: -78.430
tors. eta vs tors. theta energy: -135.316
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: 1, replica: 9
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -2816.169135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.169135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.388221 (E_RNA)
where:
Base-Base interactions energy: -1953.343
where: short stacking energy: -837.355
Base-Backbone interact. energy: -2.651
local terms energy: -861.394231
where:
bonds (distance) C4'-P energy: -158.526
bonds (distance) P-C4' energy: -154.492
flat angles C4'-P-C4' energy: -177.978
flat angles P-C4'-P energy: -116.661
tors. eta vs tors. theta energy: -253.737
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: 2
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -2597.353117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.353117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.429828 (E_RNA)
where:
Base-Base interactions energy: -1776.756
where: short stacking energy: -758.311
Base-Backbone interact. energy: -4.854
local terms energy: -817.819570
where:
bonds (distance) C4'-P energy: -156.079
bonds (distance) P-C4' energy: -162.619
flat angles C4'-P-C4' energy: -172.499
flat angles P-C4'-P energy: -117.728
tors. eta vs tors. theta energy: -208.894
Dist. restrs. and SS energy: 2.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -2514.294149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.294149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.452327 (E_RNA)
where:
Base-Base interactions energy: -1665.777
where: short stacking energy: -732.772
Base-Backbone interact. energy: 3.399
local terms energy: -854.074552
where:
bonds (distance) C4'-P energy: -156.842
bonds (distance) P-C4' energy: -188.442
flat angles C4'-P-C4' energy: -176.347
flat angles P-C4'-P energy: -123.965
tors. eta vs tors. theta energy: -208.477
Dist. restrs. and SS energy: 2.158 (S_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: 76
Temperature: 1.050000
Total energy: -2445.106608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.106608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.820600 (E_RNA)
where:
Base-Base interactions energy: -1680.792
where: short stacking energy: -716.400
Base-Backbone interact. energy: 5.390
local terms energy: -772.418698
where:
bonds (distance) C4'-P energy: -144.660
bonds (distance) P-C4' energy: -148.127
flat angles C4'-P-C4' energy: -168.339
flat angles P-C4'-P energy: -102.556
tors. eta vs tors. theta energy: -208.737
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: 5, replica: 6
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -2314.493426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.493426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.461917 (E_RNA)
where:
Base-Base interactions energy: -1577.228
where: short stacking energy: -687.958
Base-Backbone interact. energy: 0.591
local terms energy: -739.824805
where:
bonds (distance) C4'-P energy: -126.068
bonds (distance) P-C4' energy: -147.521
flat angles C4'-P-C4' energy: -174.308
flat angles P-C4'-P energy: -104.917
tors. eta vs tors. theta energy: -187.010
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: 6, replica: 1
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -2190.520465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.520465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.041863 (E_RNA)
where:
Base-Base interactions energy: -1470.664
where: short stacking energy: -645.937
Base-Backbone interact. energy: 2.407
local terms energy: -724.785693
where:
bonds (distance) C4'-P energy: -148.243
bonds (distance) P-C4' energy: -136.951
flat angles C4'-P-C4' energy: -155.011
flat angles P-C4'-P energy: -108.095
tors. eta vs tors. theta energy: -176.485
Dist. restrs. and SS energy: 2.521 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -2053.829401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.829401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.391955 (E_RNA)
where:
Base-Base interactions energy: -1378.457
where: short stacking energy: -583.624
Base-Backbone interact. energy: -1.451
local terms energy: -676.484379
where:
bonds (distance) C4'-P energy: -122.662
bonds (distance) P-C4' energy: -135.260
flat angles C4'-P-C4' energy: -166.753
flat angles P-C4'-P energy: -101.779
tors. eta vs tors. theta energy: -150.030
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: 10
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -2054.251624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.251624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.919918 (E_RNA)
where:
Base-Base interactions energy: -1420.612
where: short stacking energy: -595.218
Base-Backbone interact. energy: -5.042
local terms energy: -630.266547
where:
bonds (distance) C4'-P energy: -125.223
bonds (distance) P-C4' energy: -156.759
flat angles C4'-P-C4' energy: -138.645
flat angles P-C4'-P energy: -73.165
tors. eta vs tors. theta energy: -136.475
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: 9, replica: 5
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -1889.896515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.896515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.480147 (E_RNA)
where:
Base-Base interactions energy: -1261.218
where: short stacking energy: -538.660
Base-Backbone interact. energy: -3.179
local terms energy: -629.083763
where:
bonds (distance) C4'-P energy: -111.186
bonds (distance) P-C4' energy: -143.639
flat angles C4'-P-C4' energy: -150.729
flat angles P-C4'-P energy: -93.244
tors. eta vs tors. theta energy: -130.286
Dist. restrs. and SS energy: 3.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -1882.869118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.869118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.239883 (E_RNA)
where:
Base-Base interactions energy: -1291.297
where: short stacking energy: -551.902
Base-Backbone interact. energy: -3.271
local terms energy: -590.671756
where:
bonds (distance) C4'-P energy: -111.114
bonds (distance) P-C4' energy: -116.822
flat angles C4'-P-C4' energy: -147.705
flat angles P-C4'-P energy: -76.509
tors. eta vs tors. theta energy: -138.522
Dist. restrs. and SS energy: 2.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -2812.890583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.890583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.131672 (E_RNA)
where:
Base-Base interactions energy: -1936.391
where: short stacking energy: -847.777
Base-Backbone interact. energy: -5.911
local terms energy: -871.830086
where:
bonds (distance) C4'-P energy: -147.926
bonds (distance) P-C4' energy: -158.571
flat angles C4'-P-C4' energy: -183.580
flat angles P-C4'-P energy: -129.275
tors. eta vs tors. theta energy: -252.478
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: 2, replica: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -2627.878016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.878016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.723111 (E_RNA)
where:
Base-Base interactions energy: -1774.392
where: short stacking energy: -747.739
Base-Backbone interact. energy: -3.880
local terms energy: -850.451367
where:
bonds (distance) C4'-P energy: -159.795
bonds (distance) P-C4' energy: -165.859
flat angles C4'-P-C4' energy: -182.178
flat angles P-C4'-P energy: -115.023
tors. eta vs tors. theta energy: -227.596
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: 7
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -2501.496957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.496957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.972954 (E_RNA)
where:
Base-Base interactions energy: -1725.677
where: short stacking energy: -751.633
Base-Backbone interact. energy: -1.511
local terms energy: -776.785244
where:
bonds (distance) C4'-P energy: -153.140
bonds (distance) P-C4' energy: -136.601
flat angles C4'-P-C4' energy: -166.663
flat angles P-C4'-P energy: -111.894
tors. eta vs tors. theta energy: -208.488
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: 4, replica: 4
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -2355.470056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.470056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.599113 (E_RNA)
where:
Base-Base interactions energy: -1619.390
where: short stacking energy: -679.655
Base-Backbone interact. energy: 1.824
local terms energy: -739.033674
where:
bonds (distance) C4'-P energy: -126.222
bonds (distance) P-C4' energy: -147.366
flat angles C4'-P-C4' energy: -168.143
flat angles P-C4'-P energy: -111.215
tors. eta vs tors. theta energy: -186.089
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: 6
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -2266.234691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.234691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.072441 (E_RNA)
where:
Base-Base interactions energy: -1561.023
where: short stacking energy: -674.196
Base-Backbone interact. energy: 3.180
local terms energy: -709.229003
where:
bonds (distance) C4'-P energy: -125.674
bonds (distance) P-C4' energy: -136.461
flat angles C4'-P-C4' energy: -167.419
flat angles P-C4'-P energy: -99.348
tors. eta vs tors. theta energy: -180.327
Dist. restrs. and SS energy: 0.838 (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: 77
Temperature: 1.150000
Total energy: -2162.805140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.805140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.018944 (E_RNA)
where:
Base-Base interactions energy: -1467.243
where: short stacking energy: -646.163
Base-Backbone interact. energy: -2.269
local terms energy: -694.506835
where:
bonds (distance) C4'-P energy: -119.982
bonds (distance) P-C4' energy: -148.096
flat angles C4'-P-C4' energy: -151.069
flat angles P-C4'-P energy: -100.670
tors. eta vs tors. theta energy: -174.689
Dist. restrs. and SS energy: 1.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -2079.374173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.374173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.121186 (E_RNA)
where:
Base-Base interactions energy: -1423.483
where: short stacking energy: -609.664
Base-Backbone interact. energy: 2.614
local terms energy: -660.252022
where:
bonds (distance) C4'-P energy: -120.427
bonds (distance) P-C4' energy: -140.660
flat angles C4'-P-C4' energy: -148.392
flat angles P-C4'-P energy: -97.917
tors. eta vs tors. theta energy: -152.856
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: 10
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -2043.954695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.954695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.510334 (E_RNA)
where:
Base-Base interactions energy: -1389.770
where: short stacking energy: -603.289
Base-Backbone interact. energy: 5.301
local terms energy: -662.040543
where:
bonds (distance) C4'-P energy: -137.513
bonds (distance) P-C4' energy: -126.478
flat angles C4'-P-C4' energy: -145.612
flat angles P-C4'-P energy: -100.162
tors. eta vs tors. theta energy: -152.276
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: 5
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -1864.608154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.608154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.008223 (E_RNA)
where:
Base-Base interactions energy: -1279.024
where: short stacking energy: -535.068
Base-Backbone interact. energy: -2.705
local terms energy: -586.279290
where:
bonds (distance) C4'-P energy: -95.508
bonds (distance) P-C4' energy: -123.852
flat angles C4'-P-C4' energy: -138.900
flat angles P-C4'-P energy: -81.126
tors. eta vs tors. theta energy: -146.893
Dist. restrs. and SS energy: 3.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -1903.742630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.742630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.084246 (E_RNA)
where:
Base-Base interactions energy: -1291.513
where: short stacking energy: -557.136
Base-Backbone interact. energy: -2.829
local terms energy: -611.742332
where:
bonds (distance) C4'-P energy: -116.759
bonds (distance) P-C4' energy: -117.494
flat angles C4'-P-C4' energy: -150.319
flat angles P-C4'-P energy: -101.639
tors. eta vs tors. theta energy: -125.531
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: 1, replica: 9
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -2839.790766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2839.790766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2841.176568 (E_RNA)
where:
Base-Base interactions energy: -1944.289
where: short stacking energy: -839.594
Base-Backbone interact. energy: -4.299
local terms energy: -892.588420
where:
bonds (distance) C4'-P energy: -157.322
bonds (distance) P-C4' energy: -175.892
flat angles C4'-P-C4' energy: -190.704
flat angles P-C4'-P energy: -129.219
tors. eta vs tors. theta energy: -239.450
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: 2, replica: 2
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -2675.531009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.531009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.338189 (E_RNA)
where:
Base-Base interactions energy: -1850.225
where: short stacking energy: -780.620
Base-Backbone interact. energy: 0.211
local terms energy: -827.323621
where:
bonds (distance) C4'-P energy: -158.461
bonds (distance) P-C4' energy: -151.848
flat angles C4'-P-C4' energy: -169.276
flat angles P-C4'-P energy: -121.300
tors. eta vs tors. theta energy: -226.439
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: 3, replica: 7
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -2540.579363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.579363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.178069 (E_RNA)
where:
Base-Base interactions energy: -1750.681
where: short stacking energy: -753.127
Base-Backbone interact. energy: -1.363
local terms energy: -790.133655
where:
bonds (distance) C4'-P energy: -149.824
bonds (distance) P-C4' energy: -154.409
flat angles C4'-P-C4' energy: -177.788
flat angles P-C4'-P energy: -109.811
tors. eta vs tors. theta energy: -198.303
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: 4
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -2422.023435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.023435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.150271 (E_RNA)
where:
Base-Base interactions energy: -1637.239
where: short stacking energy: -689.176
Base-Backbone interact. energy: -1.120
local terms energy: -784.791486
where:
bonds (distance) C4'-P energy: -150.530
bonds (distance) P-C4' energy: -150.632
flat angles C4'-P-C4' energy: -182.842
flat angles P-C4'-P energy: -112.427
tors. eta vs tors. theta energy: -188.360
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: 5, replica: 6
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -2237.238477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.238477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.435684 (E_RNA)
where:
Base-Base interactions energy: -1509.644
where: short stacking energy: -649.172
Base-Backbone interact. energy: -0.410
local terms energy: -730.381497
where:
bonds (distance) C4'-P energy: -135.248
bonds (distance) P-C4' energy: -144.717
flat angles C4'-P-C4' energy: -173.390
flat angles P-C4'-P energy: -92.992
tors. eta vs tors. theta energy: -184.034
Dist. restrs. and SS energy: 3.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -2134.029527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.029527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.415348 (E_RNA)
where:
Base-Base interactions energy: -1445.463
where: short stacking energy: -617.758
Base-Backbone interact. energy: 2.989
local terms energy: -692.941479
where:
bonds (distance) C4'-P energy: -136.094
bonds (distance) P-C4' energy: -144.830
flat angles C4'-P-C4' energy: -146.727
flat angles P-C4'-P energy: -101.664
tors. eta vs tors. theta energy: -163.626
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: 7, replica: 8
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -2059.279345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.279345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.052005 (E_RNA)
where:
Base-Base interactions energy: -1356.286
where: short stacking energy: -601.394
Base-Backbone interact. energy: -2.203
local terms energy: -703.562815
where:
bonds (distance) C4'-P energy: -149.884
bonds (distance) P-C4' energy: -149.582
flat angles C4'-P-C4' energy: -134.082
flat angles P-C4'-P energy: -106.013
tors. eta vs tors. theta energy: -164.002
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: 8, replica: 10
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -2083.486092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.486092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.286513 (E_RNA)
where:
Base-Base interactions energy: -1405.852
where: short stacking energy: -585.648
Base-Backbone interact. energy: 6.130
local terms energy: -685.564207
where:
bonds (distance) C4'-P energy: -136.316
bonds (distance) P-C4' energy: -140.005
flat angles C4'-P-C4' energy: -157.415
flat angles P-C4'-P energy: -94.181
tors. eta vs tors. theta energy: -157.648
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: 9, replica: 5
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -1880.518827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.518827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.555589 (E_RNA)
where:
Base-Base interactions energy: -1281.627
where: short stacking energy: -529.508
Base-Backbone interact. energy: -1.480
local terms energy: -601.449337
where:
bonds (distance) C4'-P energy: -127.946
bonds (distance) P-C4' energy: -130.763
flat angles C4'-P-C4' energy: -145.144
flat angles P-C4'-P energy: -72.736
tors. eta vs tors. theta energy: -124.860
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: 10, replica: 3
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -1812.591578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.591578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.189743 (E_RNA)
where:
Base-Base interactions energy: -1233.151
where: short stacking energy: -519.226
Base-Backbone interact. energy: -1.302
local terms energy: -582.735979
where:
bonds (distance) C4'-P energy: -128.798
bonds (distance) P-C4' energy: -126.408
flat angles C4'-P-C4' energy: -119.883
flat angles P-C4'-P energy: -86.222
tors. eta vs tors. theta energy: -121.425
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: 79
Temperature: 0.900000
Total energy: -2811.732823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.732823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.873238 (E_RNA)
where:
Base-Base interactions energy: -1906.486
where: short stacking energy: -823.479
Base-Backbone interact. energy: 0.404
local terms energy: -907.790703
where:
bonds (distance) C4'-P energy: -160.553
bonds (distance) P-C4' energy: -180.440
flat angles C4'-P-C4' energy: -199.433
flat angles P-C4'-P energy: -128.842
tors. eta vs tors. theta energy: -238.523
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: 2
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -2650.738735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.738735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.687207 (E_RNA)
where:
Base-Base interactions energy: -1789.630
where: short stacking energy: -790.337
Base-Backbone interact. energy: -2.798
local terms energy: -860.259844
where:
bonds (distance) C4'-P energy: -158.294
bonds (distance) P-C4' energy: -169.078
flat angles C4'-P-C4' energy: -173.465
flat angles P-C4'-P energy: -130.574
tors. eta vs tors. theta energy: -228.850
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: 3, replica: 7
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -2553.559464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.559464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.138929 (E_RNA)
where:
Base-Base interactions energy: -1723.776
where: short stacking energy: -749.726
Base-Backbone interact. energy: -3.798
local terms energy: -827.564810
where:
bonds (distance) C4'-P energy: -164.863
bonds (distance) P-C4' energy: -151.538
flat angles C4'-P-C4' energy: -172.595
flat angles P-C4'-P energy: -118.452
tors. eta vs tors. theta energy: -220.117
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: 4, replica: 4
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -2379.200232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.200232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.171236 (E_RNA)
where:
Base-Base interactions energy: -1596.584
where: short stacking energy: -702.472
Base-Backbone interact. energy: -3.049
local terms energy: -781.538241
where:
bonds (distance) C4'-P energy: -135.111
bonds (distance) P-C4' energy: -162.062
flat angles C4'-P-C4' energy: -167.630
flat angles P-C4'-P energy: -114.234
tors. eta vs tors. theta energy: -202.501
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: 6
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -2301.006992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.006992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.377394 (E_RNA)
where:
Base-Base interactions energy: -1540.610
where: short stacking energy: -662.403
Base-Backbone interact. energy: -2.172
local terms energy: -761.595085
where:
bonds (distance) C4'-P energy: -129.256
bonds (distance) P-C4' energy: -160.195
flat angles C4'-P-C4' energy: -175.904
flat angles P-C4'-P energy: -101.728
tors. eta vs tors. theta energy: -194.512
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: 1
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -2162.788695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.788695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.125945 (E_RNA)
where:
Base-Base interactions energy: -1466.164
where: short stacking energy: -635.298
Base-Backbone interact. energy: -0.741
local terms energy: -697.220990
where:
bonds (distance) C4'-P energy: -151.789
bonds (distance) P-C4' energy: -125.631
flat angles C4'-P-C4' energy: -163.906
flat angles P-C4'-P energy: -96.849
tors. eta vs tors. theta energy: -159.047
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: 8
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -2050.645410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.645410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.709506 (E_RNA)
where:
Base-Base interactions energy: -1369.635
where: short stacking energy: -597.128
Base-Backbone interact. energy: -3.108
local terms energy: -680.966605
where:
bonds (distance) C4'-P energy: -131.712
bonds (distance) P-C4' energy: -147.961
flat angles C4'-P-C4' energy: -147.059
flat angles P-C4'-P energy: -97.812
tors. eta vs tors. theta energy: -156.423
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: 5
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -1936.750347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.750347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.511305 (E_RNA)
where:
Base-Base interactions energy: -1319.973
where: short stacking energy: -547.634
Base-Backbone interact. energy: -0.770
local terms energy: -621.767838
where:
bonds (distance) C4'-P energy: -122.603
bonds (distance) P-C4' energy: -149.500
flat angles C4'-P-C4' energy: -137.095
flat angles P-C4'-P energy: -78.514
tors. eta vs tors. theta energy: -134.056
Dist. restrs. and SS energy: 5.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -1960.520898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.520898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.612156 (E_RNA)
where:
Base-Base interactions energy: -1326.078
where: short stacking energy: -585.046
Base-Backbone interact. energy: 6.391
local terms energy: -642.924317
where:
bonds (distance) C4'-P energy: -128.005
bonds (distance) P-C4' energy: -133.311
flat angles C4'-P-C4' energy: -142.978
flat angles P-C4'-P energy: -87.242
tors. eta vs tors. theta energy: -151.388
Dist. restrs. and SS energy: 2.091 (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: 3
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -1876.915450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.915450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.778507 (E_RNA)
where:
Base-Base interactions energy: -1316.384
where: short stacking energy: -554.228
Base-Backbone interact. energy: 2.894
local terms energy: -566.287850
where:
bonds (distance) C4'-P energy: -96.676
bonds (distance) P-C4' energy: -112.765
flat angles C4'-P-C4' energy: -132.390
flat angles P-C4'-P energy: -88.014
tors. eta vs tors. theta energy: -136.443
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: 80
Temperature: 0.900000
Total energy: -2785.324438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.324438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.492190 (E_RNA)
where:
Base-Base interactions energy: -1894.055
where: short stacking energy: -829.557
Base-Backbone interact. energy: -1.464
local terms energy: -891.973884
where:
bonds (distance) C4'-P energy: -172.312
bonds (distance) P-C4' energy: -174.867
flat angles C4'-P-C4' energy: -178.185
flat angles P-C4'-P energy: -127.395
tors. eta vs tors. theta energy: -239.215
Dist. restrs. and SS energy: 2.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -2605.177484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.177484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.340835 (E_RNA)
where:
Base-Base interactions energy: -1754.575
where: short stacking energy: -761.263
Base-Backbone interact. energy: -1.944
local terms energy: -850.822236
where:
bonds (distance) C4'-P energy: -159.670
bonds (distance) P-C4' energy: -160.001
flat angles C4'-P-C4' energy: -176.847
flat angles P-C4'-P energy: -124.118
tors. eta vs tors. theta energy: -230.187
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: 7
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -2553.534485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.534485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.706564 (E_RNA)
where:
Base-Base interactions energy: -1756.586
where: short stacking energy: -730.094
Base-Backbone interact. energy: -1.837
local terms energy: -796.284142
where:
bonds (distance) C4'-P energy: -149.084
bonds (distance) P-C4' energy: -157.890
flat angles C4'-P-C4' energy: -178.461
flat angles P-C4'-P energy: -101.379
tors. eta vs tors. theta energy: -209.470
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: 4, replica: 4
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -2420.353625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.353625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.796717 (E_RNA)
where:
Base-Base interactions energy: -1656.631
where: short stacking energy: -743.631
Base-Backbone interact. energy: 2.927
local terms energy: -768.092772
where:
bonds (distance) C4'-P energy: -143.352
bonds (distance) P-C4' energy: -140.145
flat angles C4'-P-C4' energy: -161.658
flat angles P-C4'-P energy: -116.171
tors. eta vs tors. theta energy: -206.766
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: 5, replica: 6
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -2302.029295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.029295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.994743 (E_RNA)
where:
Base-Base interactions energy: -1558.694
where: short stacking energy: -679.195
Base-Backbone interact. energy: -2.965
local terms energy: -742.335694
where:
bonds (distance) C4'-P energy: -159.673
bonds (distance) P-C4' energy: -124.763
flat angles C4'-P-C4' energy: -157.038
flat angles P-C4'-P energy: -109.764
tors. eta vs tors. theta energy: -191.097
Dist. restrs. and SS energy: 1.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -2188.579283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.579283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.464044 (E_RNA)
where:
Base-Base interactions energy: -1465.755
where: short stacking energy: -649.128
Base-Backbone interact. energy: 2.039
local terms energy: -728.748098
where:
bonds (distance) C4'-P energy: -140.652
bonds (distance) P-C4' energy: -157.401
flat angles C4'-P-C4' energy: -151.420
flat angles P-C4'-P energy: -95.355
tors. eta vs tors. theta energy: -183.920
Dist. restrs. and SS energy: 3.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -2068.768816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.768816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.348525 (E_RNA)
where:
Base-Base interactions energy: -1392.460
where: short stacking energy: -599.628
Base-Backbone interact. energy: -2.097
local terms energy: -675.791666
where:
bonds (distance) C4'-P energy: -129.827
bonds (distance) P-C4' energy: -132.845
flat angles C4'-P-C4' energy: -158.530
flat angles P-C4'-P energy: -97.643
tors. eta vs tors. theta energy: -156.946
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: 8, replica: 5
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -2004.027995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.027995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.530245 (E_RNA)
where:
Base-Base interactions energy: -1346.919
where: short stacking energy: -592.518
Base-Backbone interact. energy: -2.080
local terms energy: -657.531188
where:
bonds (distance) C4'-P energy: -124.317
bonds (distance) P-C4' energy: -137.520
flat angles C4'-P-C4' energy: -143.258
flat angles P-C4'-P energy: -85.808
tors. eta vs tors. theta energy: -166.627
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: 80
Temperature: 1.300000
Total energy: -1992.712849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.712849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.291123 (E_RNA)
where:
Base-Base interactions energy: -1325.367
where: short stacking energy: -579.688
Base-Backbone interact. energy: -0.742
local terms energy: -669.182919
where:
bonds (distance) C4'-P energy: -107.987
bonds (distance) P-C4' energy: -135.692
flat angles C4'-P-C4' energy: -175.060
flat angles P-C4'-P energy: -88.228
tors. eta vs tors. theta energy: -162.215
Dist. restrs. and SS energy: 2.578 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -1861.140032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.140032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.193470 (E_RNA)
where:
Base-Base interactions energy: -1269.641
where: short stacking energy: -541.727
Base-Backbone interact. energy: -2.443
local terms energy: -595.110328
where:
bonds (distance) C4'-P energy: -104.694
bonds (distance) P-C4' energy: -134.956
flat angles C4'-P-C4' energy: -150.308
flat angles P-C4'-P energy: -65.851
tors. eta vs tors. theta energy: -139.302
Dist. restrs. and SS energy: 6.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -2819.605963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.605963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.146043 (E_RNA)
where:
Base-Base interactions energy: -1936.790
where: short stacking energy: -837.157
Base-Backbone interact. energy: 1.940
local terms energy: -887.295973
where:
bonds (distance) C4'-P energy: -173.497
bonds (distance) P-C4' energy: -162.832
flat angles C4'-P-C4' energy: -193.363
flat angles P-C4'-P energy: -117.076
tors. eta vs tors. theta energy: -240.529
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: 2, replica: 2
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -2605.686089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.686089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.943689 (E_RNA)
where:
Base-Base interactions energy: -1759.101
where: short stacking energy: -782.193
Base-Backbone interact. energy: 0.284
local terms energy: -849.127276
where:
bonds (distance) C4'-P energy: -143.998
bonds (distance) P-C4' energy: -153.900
flat angles C4'-P-C4' energy: -175.414
flat angles P-C4'-P energy: -143.547
tors. eta vs tors. theta energy: -232.268
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: 3, replica: 7
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -2523.032687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.032687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.437786 (E_RNA)
where:
Base-Base interactions energy: -1723.764
where: short stacking energy: -765.567
Base-Backbone interact. energy: -2.754
local terms energy: -798.920648
where:
bonds (distance) C4'-P energy: -144.565
bonds (distance) P-C4' energy: -154.081
flat angles C4'-P-C4' energy: -174.014
flat angles P-C4'-P energy: -120.494
tors. eta vs tors. theta energy: -205.766
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: 4, replica: 4
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -2383.081582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.081582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.469480 (E_RNA)
where:
Base-Base interactions energy: -1615.840
where: short stacking energy: -705.616
Base-Backbone interact. energy: 5.793
local terms energy: -775.423325
where:
bonds (distance) C4'-P energy: -138.508
bonds (distance) P-C4' energy: -151.065
flat angles C4'-P-C4' energy: -178.713
flat angles P-C4'-P energy: -106.911
tors. eta vs tors. theta energy: -200.227
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: 6
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -2305.086302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.086302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.132629 (E_RNA)
where:
Base-Base interactions energy: -1570.285
where: short stacking energy: -683.163
Base-Backbone interact. energy: -2.078
local terms energy: -734.770121
where:
bonds (distance) C4'-P energy: -143.392
bonds (distance) P-C4' energy: -148.965
flat angles C4'-P-C4' energy: -156.404
flat angles P-C4'-P energy: -100.018
tors. eta vs tors. theta energy: -185.992
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: 6, replica: 1
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -2168.243634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.243634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.306289 (E_RNA)
where:
Base-Base interactions energy: -1452.232
where: short stacking energy: -642.751
Base-Backbone interact. energy: -0.768
local terms energy: -718.306337
where:
bonds (distance) C4'-P energy: -124.483
bonds (distance) P-C4' energy: -155.077
flat angles C4'-P-C4' energy: -150.937
flat angles P-C4'-P energy: -103.908
tors. eta vs tors. theta energy: -183.901
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: 7, replica: 8
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -2063.414962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.414962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.673372 (E_RNA)
where:
Base-Base interactions energy: -1409.849
where: short stacking energy: -596.174
Base-Backbone interact. energy: -1.804
local terms energy: -654.020431
where:
bonds (distance) C4'-P energy: -146.049
bonds (distance) P-C4' energy: -139.441
flat angles C4'-P-C4' energy: -150.615
flat angles P-C4'-P energy: -76.945
tors. eta vs tors. theta energy: -140.971
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: 8, replica: 10
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -2016.542882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.542882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.371300 (E_RNA)
where:
Base-Base interactions energy: -1351.596
where: short stacking energy: -598.113
Base-Backbone interact. energy: 3.358
local terms energy: -672.133520
where:
bonds (distance) C4'-P energy: -150.600
bonds (distance) P-C4' energy: -144.908
flat angles C4'-P-C4' energy: -137.197
flat angles P-C4'-P energy: -96.132
tors. eta vs tors. theta energy: -143.297
Dist. restrs. and SS energy: 3.828 (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: 5
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -1968.069150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.069150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.488379 (E_RNA)
where:
Base-Base interactions energy: -1316.076
where: short stacking energy: -562.231
Base-Backbone interact. energy: -2.222
local terms energy: -652.190196
where:
bonds (distance) C4'-P energy: -125.692
bonds (distance) P-C4' energy: -130.073
flat angles C4'-P-C4' energy: -144.305
flat angles P-C4'-P energy: -98.788
tors. eta vs tors. theta energy: -153.333
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: 3
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -1844.241154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.241154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.728805 (E_RNA)
where:
Base-Base interactions energy: -1259.573
where: short stacking energy: -525.831
Base-Backbone interact. energy: -0.980
local terms energy: -586.176283
where:
bonds (distance) C4'-P energy: -109.851
bonds (distance) P-C4' energy: -100.824
flat angles C4'-P-C4' energy: -151.090
flat angles P-C4'-P energy: -84.277
tors. eta vs tors. theta energy: -140.134
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: 1, replica: 9
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -2787.112421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.112421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.799377 (E_RNA)
where:
Base-Base interactions energy: -1917.052
where: short stacking energy: -819.082
Base-Backbone interact. energy: -2.139
local terms energy: -868.608308
where:
bonds (distance) C4'-P energy: -165.998
bonds (distance) P-C4' energy: -164.106
flat angles C4'-P-C4' energy: -179.514
flat angles P-C4'-P energy: -120.365
tors. eta vs tors. theta energy: -238.626
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: 2
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -2635.929904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.929904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.402842 (E_RNA)
where:
Base-Base interactions energy: -1782.607
where: short stacking energy: -799.887
Base-Backbone interact. energy: -2.609
local terms energy: -853.186915
where:
bonds (distance) C4'-P energy: -152.952
bonds (distance) P-C4' energy: -163.861
flat angles C4'-P-C4' energy: -178.945
flat angles P-C4'-P energy: -120.821
tors. eta vs tors. theta energy: -236.609
Dist. restrs. and SS energy: 2.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -2570.375926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.375926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.058175 (E_RNA)
where:
Base-Base interactions energy: -1755.010
where: short stacking energy: -752.469
Base-Backbone interact. energy: 0.355
local terms energy: -817.402998
where:
bonds (distance) C4'-P energy: -159.156
bonds (distance) P-C4' energy: -152.094
flat angles C4'-P-C4' energy: -165.400
flat angles P-C4'-P energy: -126.131
tors. eta vs tors. theta energy: -214.622
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: 4, replica: 4
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -2423.931804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.931804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.688984 (E_RNA)
where:
Base-Base interactions energy: -1626.566
where: short stacking energy: -704.687
Base-Backbone interact. energy: 0.657
local terms energy: -800.780080
where:
bonds (distance) C4'-P energy: -163.534
bonds (distance) P-C4' energy: -152.711
flat angles C4'-P-C4' energy: -167.689
flat angles P-C4'-P energy: -112.277
tors. eta vs tors. theta energy: -204.568
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: 5, replica: 6
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -2264.163307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.163307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.813682 (E_RNA)
where:
Base-Base interactions energy: -1531.194
where: short stacking energy: -656.891
Base-Backbone interact. energy: -2.306
local terms energy: -732.313603
where:
bonds (distance) C4'-P energy: -132.751
bonds (distance) P-C4' energy: -145.417
flat angles C4'-P-C4' energy: -169.079
flat angles P-C4'-P energy: -106.098
tors. eta vs tors. theta energy: -178.969
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: 1
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -2219.908602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.908602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.646159 (E_RNA)
where:
Base-Base interactions energy: -1507.300
where: short stacking energy: -668.195
Base-Backbone interact. energy: 0.164
local terms energy: -715.509811
where:
bonds (distance) C4'-P energy: -136.217
bonds (distance) P-C4' energy: -134.170
flat angles C4'-P-C4' energy: -168.389
flat angles P-C4'-P energy: -95.195
tors. eta vs tors. theta energy: -181.538
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: 7, replica: 10
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -2092.099259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.099259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.741861 (E_RNA)
where:
Base-Base interactions energy: -1409.811
where: short stacking energy: -620.443
Base-Backbone interact. energy: 0.088
local terms energy: -686.019234
where:
bonds (distance) C4'-P energy: -133.822
bonds (distance) P-C4' energy: -134.585
flat angles C4'-P-C4' energy: -138.371
flat angles P-C4'-P energy: -106.130
tors. eta vs tors. theta energy: -173.111
Dist. restrs. and SS energy: 3.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -1962.380067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.380067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.044088 (E_RNA)
where:
Base-Base interactions energy: -1329.541
where: short stacking energy: -573.921
Base-Backbone interact. energy: -0.694
local terms energy: -634.808846
where:
bonds (distance) C4'-P energy: -135.632
bonds (distance) P-C4' energy: -128.778
flat angles C4'-P-C4' energy: -139.668
flat angles P-C4'-P energy: -80.566
tors. eta vs tors. theta energy: -150.164
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: 9, replica: 5
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -1960.141952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.141952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.705366 (E_RNA)
where:
Base-Base interactions energy: -1334.485
where: short stacking energy: -564.489
Base-Backbone interact. energy: -1.563
local terms energy: -626.657572
where:
bonds (distance) C4'-P energy: -114.942
bonds (distance) P-C4' energy: -136.011
flat angles C4'-P-C4' energy: -137.826
flat angles P-C4'-P energy: -90.907
tors. eta vs tors. theta energy: -146.972
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: 10, replica: 3
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -1855.019595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.019595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.973671 (E_RNA)
where:
Base-Base interactions energy: -1274.300
where: short stacking energy: -518.455
Base-Backbone interact. energy: -0.813
local terms energy: -583.861132
where:
bonds (distance) C4'-P energy: -106.845
bonds (distance) P-C4' energy: -129.902
flat angles C4'-P-C4' energy: -132.262
flat angles P-C4'-P energy: -89.240
tors. eta vs tors. theta energy: -125.612
Dist. restrs. and SS energy: 3.954 (S_DIST_RNA)
chem. 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: -2833.544220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2833.544220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2834.370684 (E_RNA)
where:
Base-Base interactions energy: -1951.074
where: short stacking energy: -807.275
Base-Backbone interact. energy: -1.655
local terms energy: -881.641833
where:
bonds (distance) C4'-P energy: -154.885
bonds (distance) P-C4' energy: -160.885
flat angles C4'-P-C4' energy: -187.420
flat angles P-C4'-P energy: -124.105
tors. eta vs tors. theta energy: -254.347
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: 2
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -2600.567204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.567204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.314236 (E_RNA)
where:
Base-Base interactions energy: -1750.351
where: short stacking energy: -764.238
Base-Backbone interact. energy: -4.285
local terms energy: -847.677431
where:
bonds (distance) C4'-P energy: -167.705
bonds (distance) P-C4' energy: -157.989
flat angles C4'-P-C4' energy: -183.478
flat angles P-C4'-P energy: -118.219
tors. eta vs tors. theta energy: -220.287
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: 3, replica: 7
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -2546.670571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.670571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.258854 (E_RNA)
where:
Base-Base interactions energy: -1727.011
where: short stacking energy: -761.518
Base-Backbone interact. energy: 0.145
local terms energy: -821.393364
where:
bonds (distance) C4'-P energy: -148.421
bonds (distance) P-C4' energy: -164.989
flat angles C4'-P-C4' energy: -173.562
flat angles P-C4'-P energy: -122.864
tors. eta vs tors. theta energy: -211.557
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: 4, replica: 4
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -2399.692219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.692219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.948944 (E_RNA)
where:
Base-Base interactions energy: -1625.104
where: short stacking energy: -692.891
Base-Backbone interact. energy: 2.656
local terms energy: -779.500208
where:
bonds (distance) C4'-P energy: -135.049
bonds (distance) P-C4' energy: -137.432
flat angles C4'-P-C4' energy: -177.156
flat angles P-C4'-P energy: -108.926
tors. eta vs tors. theta energy: -220.936
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: 6
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -2311.748871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.748871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.227030 (E_RNA)
where:
Base-Base interactions energy: -1551.669
where: short stacking energy: -677.356
Base-Backbone interact. energy: -4.221
local terms energy: -757.337100
where:
bonds (distance) C4'-P energy: -145.098
bonds (distance) P-C4' energy: -145.631
flat angles C4'-P-C4' energy: -163.243
flat angles P-C4'-P energy: -109.241
tors. eta vs tors. theta energy: -194.124
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: 6, replica: 1
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -2220.475431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.475431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.397139 (E_RNA)
where:
Base-Base interactions energy: -1503.832
where: short stacking energy: -673.787
Base-Backbone interact. energy: -0.358
local terms energy: -720.207208
where:
bonds (distance) C4'-P energy: -149.556
bonds (distance) P-C4' energy: -128.888
flat angles C4'-P-C4' energy: -169.748
flat angles P-C4'-P energy: -94.470
tors. eta vs tors. theta energy: -177.544
Dist. restrs. and SS energy: 3.922 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -2092.900426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.900426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.991047 (E_RNA)
where:
Base-Base interactions energy: -1423.684
where: short stacking energy: -638.601
Base-Backbone interact. energy: 4.029
local terms energy: -675.335638
where:
bonds (distance) C4'-P energy: -137.548
bonds (distance) P-C4' energy: -123.035
flat angles C4'-P-C4' energy: -156.198
flat angles P-C4'-P energy: -81.739
tors. eta vs tors. theta energy: -176.817
Dist. restrs. and SS energy: 2.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -2029.281836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.281836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.344830 (E_RNA)
where:
Base-Base interactions energy: -1363.501
where: short stacking energy: -567.159
Base-Backbone interact. energy: -1.673
local terms energy: -666.170336
where:
bonds (distance) C4'-P energy: -132.145
bonds (distance) P-C4' energy: -151.494
flat angles C4'-P-C4' energy: -135.159
flat angles P-C4'-P energy: -93.226
tors. eta vs tors. theta energy: -154.147
Dist. restrs. and SS energy: 2.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -1979.115185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.115185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.421285 (E_RNA)
where:
Base-Base interactions energy: -1357.833
where: short stacking energy: -584.007
Base-Backbone interact. energy: 8.767
local terms energy: -633.355141
where:
bonds (distance) C4'-P energy: -127.850
bonds (distance) P-C4' energy: -135.505
flat angles C4'-P-C4' energy: -142.709
flat angles P-C4'-P energy: -81.298
tors. eta vs tors. theta energy: -145.992
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: 10, replica: 3
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -1819.673330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.673330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.630521 (E_RNA)
where:
Base-Base interactions energy: -1222.280
where: short stacking energy: -497.254
Base-Backbone interact. energy: 6.071
local terms energy: -609.421165
where:
bonds (distance) C4'-P energy: -130.644
bonds (distance) P-C4' energy: -132.575
flat angles C4'-P-C4' energy: -140.349
flat angles P-C4'-P energy: -72.206
tors. eta vs tors. theta energy: -133.647
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: 1, replica: 9
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -2858.493267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2858.493267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2860.205716 (E_RNA)
where:
Base-Base interactions energy: -1951.683
where: short stacking energy: -837.443
Base-Backbone interact. energy: -2.040
local terms energy: -906.482914
where:
bonds (distance) C4'-P energy: -172.658
bonds (distance) P-C4' energy: -163.389
flat angles C4'-P-C4' energy: -184.623
flat angles P-C4'-P energy: -135.040
tors. eta vs tors. theta energy: -250.773
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: 2, replica: 2
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -2611.374165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.374165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.877988 (E_RNA)
where:
Base-Base interactions energy: -1760.020
where: short stacking energy: -764.425
Base-Backbone interact. energy: 4.341
local terms energy: -857.199005
where:
bonds (distance) C4'-P energy: -156.687
bonds (distance) P-C4' energy: -157.881
flat angles C4'-P-C4' energy: -183.714
flat angles P-C4'-P energy: -136.153
tors. eta vs tors. theta energy: -222.763
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: 3, replica: 4
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -2495.251092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.251092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.078594 (E_RNA)
where:
Base-Base interactions energy: -1699.489
where: short stacking energy: -740.362
Base-Backbone interact. energy: -2.717
local terms energy: -794.872721
where:
bonds (distance) C4'-P energy: -148.351
bonds (distance) P-C4' energy: -151.948
flat angles C4'-P-C4' energy: -170.965
flat angles P-C4'-P energy: -117.746
tors. eta vs tors. theta energy: -205.862
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: 4, replica: 7
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -2475.197331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.197331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.701869 (E_RNA)
where:
Base-Base interactions energy: -1706.629
where: short stacking energy: -734.753
Base-Backbone interact. energy: 3.047
local terms energy: -773.119247
where:
bonds (distance) C4'-P energy: -147.610
bonds (distance) P-C4' energy: -133.514
flat angles C4'-P-C4' energy: -171.233
flat angles P-C4'-P energy: -114.017
tors. eta vs tors. theta energy: -206.746
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: 6
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -2296.386008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.386008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.899280 (E_RNA)
where:
Base-Base interactions energy: -1567.731
where: short stacking energy: -659.345
Base-Backbone interact. energy: -0.117
local terms energy: -730.051552
where:
bonds (distance) C4'-P energy: -148.945
bonds (distance) P-C4' energy: -135.362
flat angles C4'-P-C4' energy: -163.689
flat angles P-C4'-P energy: -101.739
tors. eta vs tors. theta energy: -180.316
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: 1
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -2188.809512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.809512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.390645 (E_RNA)
where:
Base-Base interactions energy: -1472.614
where: short stacking energy: -642.891
Base-Backbone interact. energy: 3.354
local terms energy: -721.130684
where:
bonds (distance) C4'-P energy: -139.830
bonds (distance) P-C4' energy: -141.912
flat angles C4'-P-C4' energy: -170.641
flat angles P-C4'-P energy: -89.379
tors. eta vs tors. theta energy: -179.369
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: 7, replica: 8
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -2083.555213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.555213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.174859 (E_RNA)
where:
Base-Base interactions energy: -1386.511
where: short stacking energy: -584.489
Base-Backbone interact. energy: -4.253
local terms energy: -696.410845
where:
bonds (distance) C4'-P energy: -146.831
bonds (distance) P-C4' energy: -163.463
flat angles C4'-P-C4' energy: -136.192
flat angles P-C4'-P energy: -89.032
tors. eta vs tors. theta energy: -160.892
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: 8, replica: 10
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -2068.697012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.697012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.034061 (E_RNA)
where:
Base-Base interactions energy: -1367.291
where: short stacking energy: -582.139
Base-Backbone interact. energy: -1.537
local terms energy: -702.206158
where:
bonds (distance) C4'-P energy: -139.290
bonds (distance) P-C4' energy: -144.498
flat angles C4'-P-C4' energy: -166.068
flat angles P-C4'-P energy: -99.247
tors. eta vs tors. theta energy: -153.104
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: 9, replica: 3
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -1882.837560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.837560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.776600 (E_RNA)
where:
Base-Base interactions energy: -1306.012
where: short stacking energy: -543.430
Base-Backbone interact. energy: -2.846
local terms energy: -577.918620
where:
bonds (distance) C4'-P energy: -96.568
bonds (distance) P-C4' energy: -136.861
flat angles C4'-P-C4' energy: -139.864
flat angles P-C4'-P energy: -78.898
tors. eta vs tors. theta energy: -125.727
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: 10, replica: 5
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -1865.243035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.243035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.985276 (E_RNA)
where:
Base-Base interactions energy: -1225.706
where: short stacking energy: -534.781
Base-Backbone interact. energy: 3.489
local terms energy: -646.768466
where:
bonds (distance) C4'-P energy: -149.637
bonds (distance) P-C4' energy: -141.626
flat angles C4'-P-C4' energy: -125.241
flat angles P-C4'-P energy: -86.784
tors. eta vs tors. theta energy: -143.480
Dist. restrs. and SS energy: 3.742 (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: 85
Temperature: 0.900000
Total energy: -2868.532249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2868.532249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2869.530524 (E_RNA)
where:
Base-Base interactions energy: -1985.647
where: short stacking energy: -825.037
Base-Backbone interact. energy: 1.252
local terms energy: -885.136225
where:
bonds (distance) C4'-P energy: -172.511
bonds (distance) P-C4' energy: -164.848
flat angles C4'-P-C4' energy: -186.803
flat angles P-C4'-P energy: -119.763
tors. eta vs tors. theta energy: -241.211
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: 2
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -2637.639177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.639177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.511709 (E_RNA)
where:
Base-Base interactions energy: -1781.321
where: short stacking energy: -775.545
Base-Backbone interact. energy: -2.425
local terms energy: -855.765023
where:
bonds (distance) C4'-P energy: -150.891
bonds (distance) P-C4' energy: -167.656
flat angles C4'-P-C4' energy: -178.371
flat angles P-C4'-P energy: -123.225
tors. eta vs tors. theta energy: -235.622
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: 4
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -2514.604693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.604693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.411029 (E_RNA)
where:
Base-Base interactions energy: -1690.194
where: short stacking energy: -749.710
Base-Backbone interact. energy: -0.008
local terms energy: -826.209558
where:
bonds (distance) C4'-P energy: -158.306
bonds (distance) P-C4' energy: -161.083
flat angles C4'-P-C4' energy: -173.812
flat angles P-C4'-P energy: -114.823
tors. eta vs tors. theta energy: -218.186
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: 4, replica: 7
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -2459.543981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.543981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.330323 (E_RNA)
where:
Base-Base interactions energy: -1696.353
where: short stacking energy: -724.309
Base-Backbone interact. energy: 0.265
local terms energy: -767.242555
where:
bonds (distance) C4'-P energy: -135.896
bonds (distance) P-C4' energy: -152.363
flat angles C4'-P-C4' energy: -169.794
flat angles P-C4'-P energy: -105.773
tors. eta vs tors. theta energy: -203.416
Dist. restrs. and SS energy: 3.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -2315.019908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.019908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.870441 (E_RNA)
where:
Base-Base interactions energy: -1581.684
where: short stacking energy: -669.719
Base-Backbone interact. energy: -1.239
local terms energy: -733.947614
where:
bonds (distance) C4'-P energy: -139.937
bonds (distance) P-C4' energy: -147.111
flat angles C4'-P-C4' energy: -146.733
flat angles P-C4'-P energy: -92.797
tors. eta vs tors. theta energy: -207.370
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: 6, replica: 1
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -2175.452992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.452992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.839719 (E_RNA)
where:
Base-Base interactions energy: -1471.144
where: short stacking energy: -617.420
Base-Backbone interact. energy: -0.288
local terms energy: -705.408039
where:
bonds (distance) C4'-P energy: -137.732
bonds (distance) P-C4' energy: -151.839
flat angles C4'-P-C4' energy: -159.748
flat angles P-C4'-P energy: -88.257
tors. eta vs tors. theta energy: -167.832
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: 8
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -2018.500707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.500707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.298976 (E_RNA)
where:
Base-Base interactions energy: -1361.080
where: short stacking energy: -583.615
Base-Backbone interact. energy: -0.438
local terms energy: -659.781408
where:
bonds (distance) C4'-P energy: -126.862
bonds (distance) P-C4' energy: -123.040
flat angles C4'-P-C4' energy: -165.215
flat angles P-C4'-P energy: -87.835
tors. eta vs tors. theta energy: -156.828
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: 10
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -2043.614259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.614259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.045596 (E_RNA)
where:
Base-Base interactions energy: -1362.347
where: short stacking energy: -583.851
Base-Backbone interact. energy: -2.141
local terms energy: -682.557920
where:
bonds (distance) C4'-P energy: -129.509
bonds (distance) P-C4' energy: -145.755
flat angles C4'-P-C4' energy: -163.438
flat angles P-C4'-P energy: -97.364
tors. eta vs tors. theta energy: -146.492
Dist. restrs. and SS energy: 3.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -1954.619526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.619526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.942971 (E_RNA)
where:
Base-Base interactions energy: -1369.106
where: short stacking energy: -562.224
Base-Backbone interact. energy: -0.791
local terms energy: -587.046570
where:
bonds (distance) C4'-P energy: -132.813
bonds (distance) P-C4' energy: -96.730
flat angles C4'-P-C4' energy: -138.141
flat angles P-C4'-P energy: -83.346
tors. eta vs tors. theta energy: -136.015
Dist. restrs. and SS energy: 2.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -1860.285303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.285303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.619393 (E_RNA)
where:
Base-Base interactions energy: -1280.766
where: short stacking energy: -541.081
Base-Backbone interact. energy: 2.638
local terms energy: -585.491982
where:
bonds (distance) C4'-P energy: -116.677
bonds (distance) P-C4' energy: -119.237
flat angles C4'-P-C4' energy: -142.440
flat angles P-C4'-P energy: -80.203
tors. eta vs tors. theta energy: -126.934
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: 1, replica: 9
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -2846.626911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2846.626911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2847.875709 (E_RNA)
where:
Base-Base interactions energy: -1964.879
where: short stacking energy: -838.130
Base-Backbone interact. energy: -4.465
local terms energy: -878.532060
where:
bonds (distance) C4'-P energy: -162.238
bonds (distance) P-C4' energy: -154.768
flat angles C4'-P-C4' energy: -189.956
flat angles P-C4'-P energy: -121.470
tors. eta vs tors. theta energy: -250.100
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: 2
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -2658.981887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.981887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.568435 (E_RNA)
where:
Base-Base interactions energy: -1785.574
where: short stacking energy: -786.403
Base-Backbone interact. energy: -5.907
local terms energy: -869.087297
where:
bonds (distance) C4'-P energy: -169.045
bonds (distance) P-C4' energy: -175.270
flat angles C4'-P-C4' energy: -183.540
flat angles P-C4'-P energy: -115.728
tors. eta vs tors. theta energy: -225.503
Dist. restrs. and SS energy: 1.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -2522.809499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.809499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.387715 (E_RNA)
where:
Base-Base interactions energy: -1755.529
where: short stacking energy: -732.695
Base-Backbone interact. energy: 0.641
local terms energy: -769.499662
where:
bonds (distance) C4'-P energy: -152.752
bonds (distance) P-C4' energy: -166.946
flat angles C4'-P-C4' energy: -154.964
flat angles P-C4'-P energy: -92.155
tors. eta vs tors. theta energy: -202.682
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: 4, replica: 4
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -2416.453486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.453486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.890269 (E_RNA)
where:
Base-Base interactions energy: -1655.502
where: short stacking energy: -736.400
Base-Backbone interact. energy: 2.555
local terms energy: -764.942899
where:
bonds (distance) C4'-P energy: -140.616
bonds (distance) P-C4' energy: -139.528
flat angles C4'-P-C4' energy: -171.711
flat angles P-C4'-P energy: -105.995
tors. eta vs tors. theta energy: -207.093
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: 5, replica: 6
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -2315.796733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.796733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.743518 (E_RNA)
where:
Base-Base interactions energy: -1568.802
where: short stacking energy: -658.603
Base-Backbone interact. energy: -2.701
local terms energy: -746.240503
where:
bonds (distance) C4'-P energy: -148.113
bonds (distance) P-C4' energy: -153.150
flat angles C4'-P-C4' energy: -161.864
flat angles P-C4'-P energy: -98.774
tors. eta vs tors. theta energy: -184.339
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: 6, replica: 1
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -2180.764135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.764135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.533359 (E_RNA)
where:
Base-Base interactions energy: -1459.785
where: short stacking energy: -608.845
Base-Backbone interact. energy: -2.849
local terms energy: -719.898501
where:
bonds (distance) C4'-P energy: -146.760
bonds (distance) P-C4' energy: -140.999
flat angles C4'-P-C4' energy: -162.451
flat angles P-C4'-P energy: -100.369
tors. eta vs tors. theta energy: -169.320
Dist. restrs. and SS energy: 1.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -2065.004236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.004236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.027933 (E_RNA)
where:
Base-Base interactions energy: -1392.924
where: short stacking energy: -589.957
Base-Backbone interact. energy: 0.341
local terms energy: -675.444255
where:
bonds (distance) C4'-P energy: -127.642
bonds (distance) P-C4' energy: -147.935
flat angles C4'-P-C4' energy: -154.726
flat angles P-C4'-P energy: -92.484
tors. eta vs tors. theta energy: -152.658
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: 8, replica: 8
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -2022.460089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.460089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.071397 (E_RNA)
where:
Base-Base interactions energy: -1352.066
where: short stacking energy: -555.500
Base-Backbone interact. energy: 0.385
local terms energy: -673.390104
where:
bonds (distance) C4'-P energy: -142.407
bonds (distance) P-C4' energy: -124.904
flat angles C4'-P-C4' energy: -166.366
flat angles P-C4'-P energy: -96.036
tors. eta vs tors. theta energy: -143.677
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: 86
Temperature: 1.300000
Total energy: -1954.903494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.903494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.148196 (E_RNA)
where:
Base-Base interactions energy: -1328.378
where: short stacking energy: -569.278
Base-Backbone interact. energy: 1.847
local terms energy: -631.617182
where:
bonds (distance) C4'-P energy: -122.114
bonds (distance) P-C4' energy: -143.768
flat angles C4'-P-C4' energy: -140.022
flat angles P-C4'-P energy: -84.643
tors. eta vs tors. theta energy: -141.070
Dist. restrs. and SS energy: 3.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -1933.768819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.768819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.011341 (E_RNA)
where:
Base-Base interactions energy: -1275.561
where: short stacking energy: -507.137
Base-Backbone interact. energy: 0.182
local terms energy: -660.632558
where:
bonds (distance) C4'-P energy: -137.706
bonds (distance) P-C4' energy: -145.224
flat angles C4'-P-C4' energy: -138.073
flat angles P-C4'-P energy: -89.223
tors. eta vs tors. theta energy: -150.407
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: 87
Temperature: 0.900000
Total energy: -2830.227167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.227167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2831.469483 (E_RNA)
where:
Base-Base interactions energy: -1925.695
where: short stacking energy: -849.543
Base-Backbone interact. energy: -7.080
local terms energy: -898.694232
where:
bonds (distance) C4'-P energy: -164.947
bonds (distance) P-C4' energy: -167.038
flat angles C4'-P-C4' energy: -187.175
flat angles P-C4'-P energy: -126.387
tors. eta vs tors. theta energy: -253.147
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: 2
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -2666.836996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.836996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.619708 (E_RNA)
where:
Base-Base interactions energy: -1842.655
where: short stacking energy: -780.702
Base-Backbone interact. energy: 1.739
local terms energy: -826.704225
where:
bonds (distance) C4'-P energy: -138.965
bonds (distance) P-C4' energy: -144.271
flat angles C4'-P-C4' energy: -191.921
flat angles P-C4'-P energy: -124.739
tors. eta vs tors. theta energy: -226.808
Dist. restrs. and SS energy: 0.783 (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: 87
Temperature: 1.000000
Total energy: -2548.573807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.573807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.813836 (E_RNA)
where:
Base-Base interactions energy: -1736.448
where: short stacking energy: -750.673
Base-Backbone interact. energy: 3.020
local terms energy: -818.385675
where:
bonds (distance) C4'-P energy: -159.886
bonds (distance) P-C4' energy: -152.012
flat angles C4'-P-C4' energy: -178.680
flat angles P-C4'-P energy: -118.402
tors. eta vs tors. theta energy: -209.406
Dist. restrs. and SS energy: 3.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -2416.031606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.031606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.647195 (E_RNA)
where:
Base-Base interactions energy: -1657.195
where: short stacking energy: -722.469
Base-Backbone interact. energy: 0.837
local terms energy: -762.288716
where:
bonds (distance) C4'-P energy: -145.140
bonds (distance) P-C4' energy: -139.121
flat angles C4'-P-C4' energy: -160.556
flat angles P-C4'-P energy: -114.238
tors. eta vs tors. theta energy: -203.234
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: 5, replica: 6
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -2389.826444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.826444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.300551 (E_RNA)
where:
Base-Base interactions energy: -1625.202
where: short stacking energy: -718.000
Base-Backbone interact. energy: 1.701
local terms energy: -767.799634
where:
bonds (distance) C4'-P energy: -139.146
bonds (distance) P-C4' energy: -149.284
flat angles C4'-P-C4' energy: -164.063
flat angles P-C4'-P energy: -124.044
tors. eta vs tors. theta energy: -191.263
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: 6, replica: 1
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -2185.413434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.413434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.258210 (E_RNA)
where:
Base-Base interactions energy: -1475.499
where: short stacking energy: -621.952
Base-Backbone interact. energy: 1.913
local terms energy: -713.671317
where:
bonds (distance) C4'-P energy: -147.636
bonds (distance) P-C4' energy: -150.384
flat angles C4'-P-C4' energy: -148.712
flat angles P-C4'-P energy: -92.116
tors. eta vs tors. theta energy: -174.824
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: 7, replica: 10
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -2096.431950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.431950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.350236 (E_RNA)
where:
Base-Base interactions energy: -1383.249
where: short stacking energy: -584.689
Base-Backbone interact. energy: 2.621
local terms energy: -718.722427
where:
bonds (distance) C4'-P energy: -141.332
bonds (distance) P-C4' energy: -140.880
flat angles C4'-P-C4' energy: -167.423
flat angles P-C4'-P energy: -100.510
tors. eta vs tors. theta energy: -168.577
Dist. restrs. and SS energy: 2.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -1957.893149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.893149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.962349 (E_RNA)
where:
Base-Base interactions energy: -1348.583
where: short stacking energy: -553.126
Base-Backbone interact. energy: -3.249
local terms energy: -609.129869
where:
bonds (distance) C4'-P energy: -116.925
bonds (distance) P-C4' energy: -114.710
flat angles C4'-P-C4' energy: -139.674
flat angles P-C4'-P energy: -103.635
tors. eta vs tors. theta energy: -134.185
Dist. restrs. and SS energy: 3.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -1937.208027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.208027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.052753 (E_RNA)
where:
Base-Base interactions energy: -1376.228
where: short stacking energy: -575.120
Base-Backbone interact. energy: 8.828
local terms energy: -572.652620
where:
bonds (distance) C4'-P energy: -112.796
bonds (distance) P-C4' energy: -126.298
flat angles C4'-P-C4' energy: -130.511
flat angles P-C4'-P energy: -66.741
tors. eta vs tors. theta energy: -136.307
Dist. restrs. and SS energy: 2.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -1880.628083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.628083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.650514 (E_RNA)
where:
Base-Base interactions energy: -1276.817
where: short stacking energy: -553.144
Base-Backbone interact. energy: 3.343
local terms energy: -611.176263
where:
bonds (distance) C4'-P energy: -139.028
bonds (distance) P-C4' energy: -99.887
flat angles C4'-P-C4' energy: -152.891
flat angles P-C4'-P energy: -86.466
tors. eta vs tors. theta energy: -132.904
Dist. restrs. and SS energy: 4.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -2836.756838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2836.756838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.715411 (E_RNA)
where:
Base-Base interactions energy: -1948.901
where: short stacking energy: -822.126
Base-Backbone interact. energy: -0.320
local terms energy: -889.494625
where:
bonds (distance) C4'-P energy: -167.049
bonds (distance) P-C4' energy: -170.910
flat angles C4'-P-C4' energy: -195.561
flat angles P-C4'-P energy: -119.059
tors. eta vs tors. theta energy: -236.915
Dist. restrs. and SS energy: 1.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -2674.954469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.954469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.755334 (E_RNA)
where:
Base-Base interactions energy: -1834.180
where: short stacking energy: -798.233
Base-Backbone interact. energy: -3.072
local terms energy: -839.503244
where:
bonds (distance) C4'-P energy: -157.024
bonds (distance) P-C4' energy: -154.472
flat angles C4'-P-C4' energy: -168.817
flat angles P-C4'-P energy: -125.407
tors. eta vs tors. theta energy: -233.782
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: 7
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -2573.832075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.832075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.032345 (E_RNA)
where:
Base-Base interactions energy: -1765.524
where: short stacking energy: -759.220
Base-Backbone interact. energy: -2.929
local terms energy: -808.579279
where:
bonds (distance) C4'-P energy: -148.892
bonds (distance) P-C4' energy: -164.835
flat angles C4'-P-C4' energy: -176.740
flat angles P-C4'-P energy: -106.731
tors. eta vs tors. theta energy: -211.382
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: 4, replica: 4
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -2420.989904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.989904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.519402 (E_RNA)
where:
Base-Base interactions energy: -1647.984
where: short stacking energy: -730.474
Base-Backbone interact. energy: 1.460
local terms energy: -775.995416
where:
bonds (distance) C4'-P energy: -145.092
bonds (distance) P-C4' energy: -156.189
flat angles C4'-P-C4' energy: -162.808
flat angles P-C4'-P energy: -109.114
tors. eta vs tors. theta energy: -202.793
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: 5, replica: 6
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -2334.525208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.525208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.606063 (E_RNA)
where:
Base-Base interactions energy: -1593.561
where: short stacking energy: -698.532
Base-Backbone interact. energy: -0.876
local terms energy: -742.168203
where:
bonds (distance) C4'-P energy: -143.065
bonds (distance) P-C4' energy: -136.578
flat angles C4'-P-C4' energy: -165.380
flat angles P-C4'-P energy: -119.300
tors. eta vs tors. theta energy: -177.844
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: 6, replica: 1
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -2199.440415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.440415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.268218 (E_RNA)
where:
Base-Base interactions energy: -1470.750
where: short stacking energy: -644.390
Base-Backbone interact. energy: 0.814
local terms energy: -731.332516
where:
bonds (distance) C4'-P energy: -138.939
bonds (distance) P-C4' energy: -156.650
flat angles C4'-P-C4' energy: -147.150
flat angles P-C4'-P energy: -114.022
tors. eta vs tors. theta energy: -174.572
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: 10
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -2103.047941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.047941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.681402 (E_RNA)
where:
Base-Base interactions energy: -1404.231
where: short stacking energy: -593.116
Base-Backbone interact. energy: -2.877
local terms energy: -698.573624
where:
bonds (distance) C4'-P energy: -124.039
bonds (distance) P-C4' energy: -145.529
flat angles C4'-P-C4' energy: -162.698
flat angles P-C4'-P energy: -100.948
tors. eta vs tors. theta energy: -165.358
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: 8, replica: 8
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -1969.259743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.259743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.469102 (E_RNA)
where:
Base-Base interactions energy: -1337.032
where: short stacking energy: -570.530
Base-Backbone interact. energy: -0.630
local terms energy: -635.807186
where:
bonds (distance) C4'-P energy: -144.280
bonds (distance) P-C4' energy: -119.760
flat angles C4'-P-C4' energy: -138.096
flat angles P-C4'-P energy: -97.205
tors. eta vs tors. theta energy: -136.465
Dist. restrs. and SS energy: 4.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -1930.639430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.639430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.460062 (E_RNA)
where:
Base-Base interactions energy: -1305.694
where: short stacking energy: -555.824
Base-Backbone interact. energy: 5.189
local terms energy: -632.954788
where:
bonds (distance) C4'-P energy: -134.094
bonds (distance) P-C4' energy: -137.159
flat angles C4'-P-C4' energy: -143.567
flat angles P-C4'-P energy: -85.645
tors. eta vs tors. theta energy: -132.488
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: 10, replica: 5
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -1827.451671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.451671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.685092 (E_RNA)
where:
Base-Base interactions energy: -1260.256
where: short stacking energy: -535.932
Base-Backbone interact. energy: 0.597
local terms energy: -571.025431
where:
bonds (distance) C4'-P energy: -121.633
bonds (distance) P-C4' energy: -126.084
flat angles C4'-P-C4' energy: -117.457
flat angles P-C4'-P energy: -79.983
tors. eta vs tors. theta energy: -125.869
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: 1, replica: 9
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -2842.245504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2842.245504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.374007 (E_RNA)
where:
Base-Base interactions energy: -1945.478
where: short stacking energy: -828.543
Base-Backbone interact. energy: -4.041
local terms energy: -893.855145
where:
bonds (distance) C4'-P energy: -166.351
bonds (distance) P-C4' energy: -164.921
flat angles C4'-P-C4' energy: -181.092
flat angles P-C4'-P energy: -140.967
tors. eta vs tors. theta energy: -240.524
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: 2, replica: 2
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -2681.626155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.626155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.859659 (E_RNA)
where:
Base-Base interactions energy: -1819.018
where: short stacking energy: -803.950
Base-Backbone interact. energy: -3.966
local terms energy: -859.875158
where:
bonds (distance) C4'-P energy: -161.969
bonds (distance) P-C4' energy: -156.379
flat angles C4'-P-C4' energy: -179.848
flat angles P-C4'-P energy: -118.107
tors. eta vs tors. theta energy: -243.573
Dist. restrs. and SS energy: 1.234 (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: 7
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -2551.606249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.606249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.637684 (E_RNA)
where:
Base-Base interactions energy: -1770.950
where: short stacking energy: -767.958
Base-Backbone interact. energy: -0.008
local terms energy: -783.679908
where:
bonds (distance) C4'-P energy: -161.336
bonds (distance) P-C4' energy: -121.867
flat angles C4'-P-C4' energy: -186.590
flat angles P-C4'-P energy: -110.522
tors. eta vs tors. theta energy: -203.366
Dist. restrs. and SS energy: 3.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -2438.460492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.460492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.680807 (E_RNA)
where:
Base-Base interactions energy: -1657.573
where: short stacking energy: -719.778
Base-Backbone interact. energy: -0.158
local terms energy: -782.949590
where:
bonds (distance) C4'-P energy: -151.098
bonds (distance) P-C4' energy: -155.946
flat angles C4'-P-C4' energy: -169.819
flat angles P-C4'-P energy: -102.585
tors. eta vs tors. theta energy: -203.502
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: 89
Temperature: 1.100000
Total energy: -2315.664610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.664610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.526152 (E_RNA)
where:
Base-Base interactions energy: -1610.850
where: short stacking energy: -687.250
Base-Backbone interact. energy: -0.313
local terms energy: -706.363559
where:
bonds (distance) C4'-P energy: -123.394
bonds (distance) P-C4' energy: -132.190
flat angles C4'-P-C4' energy: -164.866
flat angles P-C4'-P energy: -91.584
tors. eta vs tors. theta energy: -194.329
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: 1
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -2199.458155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.458155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.578686 (E_RNA)
where:
Base-Base interactions energy: -1503.545
where: short stacking energy: -637.670
Base-Backbone interact. energy: 8.862
local terms energy: -706.895124
where:
bonds (distance) C4'-P energy: -144.043
bonds (distance) P-C4' energy: -119.771
flat angles C4'-P-C4' energy: -163.983
flat angles P-C4'-P energy: -97.487
tors. eta vs tors. theta energy: -181.612
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: 10
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -2144.626748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.626748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.824797 (E_RNA)
where:
Base-Base interactions energy: -1411.223
where: short stacking energy: -616.388
Base-Backbone interact. energy: 2.895
local terms energy: -741.496763
where:
bonds (distance) C4'-P energy: -160.779
bonds (distance) P-C4' energy: -150.294
flat angles C4'-P-C4' energy: -159.854
flat angles P-C4'-P energy: -94.356
tors. eta vs tors. theta energy: -176.214
Dist. restrs. and SS energy: 5.198 (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: 8
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -1995.089152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.089152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.149993 (E_RNA)
where:
Base-Base interactions energy: -1332.171
where: short stacking energy: -581.865
Base-Backbone interact. energy: -0.478
local terms energy: -669.501001
where:
bonds (distance) C4'-P energy: -124.791
bonds (distance) P-C4' energy: -134.056
flat angles C4'-P-C4' energy: -152.127
flat angles P-C4'-P energy: -95.974
tors. eta vs tors. theta energy: -162.552
Dist. restrs. and SS energy: 7.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -1894.806060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.806060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.325149 (E_RNA)
where:
Base-Base interactions energy: -1302.002
where: short stacking energy: -554.759
Base-Backbone interact. energy: -1.186
local terms energy: -594.136884
where:
bonds (distance) C4'-P energy: -112.987
bonds (distance) P-C4' energy: -121.055
flat angles C4'-P-C4' energy: -125.071
flat angles P-C4'-P energy: -80.554
tors. eta vs tors. theta energy: -154.470
Dist. restrs. and SS energy: 2.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -1836.936608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.936608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.352393 (E_RNA)
where:
Base-Base interactions energy: -1259.866
where: short stacking energy: -505.728
Base-Backbone interact. energy: 0.506
local terms energy: -580.992425
where:
bonds (distance) C4'-P energy: -109.675
bonds (distance) P-C4' energy: -124.670
flat angles C4'-P-C4' energy: -135.777
flat angles P-C4'-P energy: -86.073
tors. eta vs tors. theta energy: -124.798
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: 90
Temperature: 0.900000
Total energy: -2810.382061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.382061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.736215 (E_RNA)
where:
Base-Base interactions energy: -1930.535
where: short stacking energy: -824.029
Base-Backbone interact. energy: -1.365
local terms energy: -879.836475
where:
bonds (distance) C4'-P energy: -165.369
bonds (distance) P-C4' energy: -171.474
flat angles C4'-P-C4' energy: -184.670
flat angles P-C4'-P energy: -128.079
tors. eta vs tors. theta energy: -230.244
Dist. restrs. and SS energy: 1.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -2663.751241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.751241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.658280 (E_RNA)
where:
Base-Base interactions energy: -1804.349
where: short stacking energy: -786.409
Base-Backbone interact. energy: -2.676
local terms energy: -859.632725
where:
bonds (distance) C4'-P energy: -159.861
bonds (distance) P-C4' energy: -174.882
flat angles C4'-P-C4' energy: -178.126
flat angles P-C4'-P energy: -125.780
tors. eta vs tors. theta energy: -220.983
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: 3, replica: 7
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -2549.299565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.299565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.319646 (E_RNA)
where:
Base-Base interactions energy: -1760.099
where: short stacking energy: -760.331
Base-Backbone interact. energy: 3.646
local terms energy: -796.866712
where:
bonds (distance) C4'-P energy: -153.171
bonds (distance) P-C4' energy: -143.632
flat angles C4'-P-C4' energy: -171.277
flat angles P-C4'-P energy: -114.983
tors. eta vs tors. theta energy: -213.804
Dist. restrs. and SS energy: 4.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -2441.617269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.617269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.250777 (E_RNA)
where:
Base-Base interactions energy: -1657.615
where: short stacking energy: -715.153
Base-Backbone interact. energy: -3.444
local terms energy: -783.191609
where:
bonds (distance) C4'-P energy: -142.174
bonds (distance) P-C4' energy: -147.110
flat angles C4'-P-C4' energy: -167.900
flat angles P-C4'-P energy: -107.775
tors. eta vs tors. theta energy: -218.233
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: 5, replica: 6
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -2310.444269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.444269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.563624 (E_RNA)
where:
Base-Base interactions energy: -1567.540
where: short stacking energy: -706.784
Base-Backbone interact. energy: -1.817
local terms energy: -743.206987
where:
bonds (distance) C4'-P energy: -122.659
bonds (distance) P-C4' energy: -145.638
flat angles C4'-P-C4' energy: -176.840
flat angles P-C4'-P energy: -98.668
tors. eta vs tors. theta energy: -199.401
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: 6, replica: 1
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -2209.815531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.815531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.252640 (E_RNA)
where:
Base-Base interactions energy: -1469.279
where: short stacking energy: -664.323
Base-Backbone interact. energy: -2.375
local terms energy: -739.598303
where:
bonds (distance) C4'-P energy: -147.104
bonds (distance) P-C4' energy: -150.177
flat angles C4'-P-C4' energy: -157.905
flat angles P-C4'-P energy: -98.860
tors. eta vs tors. theta energy: -185.552
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: 7, replica: 10
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -2181.519812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.519812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.379762 (E_RNA)
where:
Base-Base interactions energy: -1451.765
where: short stacking energy: -625.639
Base-Backbone interact. energy: -1.495
local terms energy: -730.119315
where:
bonds (distance) C4'-P energy: -135.206
bonds (distance) P-C4' energy: -147.454
flat angles C4'-P-C4' energy: -171.881
flat angles P-C4'-P energy: -97.086
tors. eta vs tors. theta energy: -178.492
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: 8, replica: 8
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -1979.430032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.430032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.374049 (E_RNA)
where:
Base-Base interactions energy: -1307.952
where: short stacking energy: -555.749
Base-Backbone interact. energy: 2.355
local terms energy: -679.776699
where:
bonds (distance) C4'-P energy: -137.572
bonds (distance) P-C4' energy: -148.240
flat angles C4'-P-C4' energy: -143.267
flat angles P-C4'-P energy: -106.551
tors. eta vs tors. theta energy: -144.147
Dist. restrs. and SS energy: 5.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -1896.359539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.359539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.465502 (E_RNA)
where:
Base-Base interactions energy: -1287.935
where: short stacking energy: -547.352
Base-Backbone interact. energy: 9.559
local terms energy: -621.089171
where:
bonds (distance) C4'-P energy: -121.041
bonds (distance) P-C4' energy: -143.774
flat angles C4'-P-C4' energy: -133.759
flat angles P-C4'-P energy: -90.121
tors. eta vs tors. theta energy: -132.394
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: 10, replica: 3
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -1853.985045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.985045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.953294 (E_RNA)
where:
Base-Base interactions energy: -1241.091
where: short stacking energy: -523.288
Base-Backbone interact. energy: 1.528
local terms energy: -617.390043
where:
bonds (distance) C4'-P energy: -129.418
bonds (distance) P-C4' energy: -123.776
flat angles C4'-P-C4' energy: -127.905
flat angles P-C4'-P energy: -96.922
tors. eta vs tors. theta energy: -139.369
Dist. restrs. and SS energy: 2.968 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -2808.068779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.068779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.482696 (E_RNA)
where:
Base-Base interactions energy: -1923.248
where: short stacking energy: -811.697
Base-Backbone interact. energy: -4.333
local terms energy: -881.901464
where:
bonds (distance) C4'-P energy: -157.410
bonds (distance) P-C4' energy: -171.755
flat angles C4'-P-C4' energy: -190.130
flat angles P-C4'-P energy: -126.506
tors. eta vs tors. theta energy: -236.100
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: 2, replica: 2
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -2681.802433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.802433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.936546 (E_RNA)
where:
Base-Base interactions energy: -1826.049
where: short stacking energy: -772.939
Base-Backbone interact. energy: -0.663
local terms energy: -856.224584
where:
bonds (distance) C4'-P energy: -148.230
bonds (distance) P-C4' energy: -170.514
flat angles C4'-P-C4' energy: -182.878
flat angles P-C4'-P energy: -127.709
tors. eta vs tors. theta energy: -226.894
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: 3, replica: 7
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -2519.786102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.786102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.342673 (E_RNA)
where:
Base-Base interactions energy: -1734.832
where: short stacking energy: -738.323
Base-Backbone interact. energy: 1.136
local terms energy: -787.645815
where:
bonds (distance) C4'-P energy: -152.094
bonds (distance) P-C4' energy: -161.425
flat angles C4'-P-C4' energy: -153.807
flat angles P-C4'-P energy: -108.847
tors. eta vs tors. theta energy: -211.473
Dist. restrs. and SS energy: 1.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -2437.557462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.557462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.440470 (E_RNA)
where:
Base-Base interactions energy: -1672.833
where: short stacking energy: -719.869
Base-Backbone interact. energy: -3.069
local terms energy: -762.538267
where:
bonds (distance) C4'-P energy: -141.003
bonds (distance) P-C4' energy: -155.948
flat angles C4'-P-C4' energy: -175.813
flat angles P-C4'-P energy: -98.758
tors. eta vs tors. theta energy: -191.016
Dist. restrs. and SS energy: 0.883 (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: 6
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -2320.089945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.089945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.526344 (E_RNA)
where:
Base-Base interactions energy: -1562.370
where: short stacking energy: -673.972
Base-Backbone interact. energy: -1.664
local terms energy: -758.492308
where:
bonds (distance) C4'-P energy: -144.250
bonds (distance) P-C4' energy: -148.507
flat angles C4'-P-C4' energy: -176.537
flat angles P-C4'-P energy: -101.170
tors. eta vs tors. theta energy: -188.028
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: 91
Temperature: 1.150000
Total energy: -2219.554538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.554538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.822342 (E_RNA)
where:
Base-Base interactions energy: -1495.953
where: short stacking energy: -650.332
Base-Backbone interact. energy: 0.683
local terms energy: -725.552265
where:
bonds (distance) C4'-P energy: -130.479
bonds (distance) P-C4' energy: -152.337
flat angles C4'-P-C4' energy: -158.747
flat angles P-C4'-P energy: -100.331
tors. eta vs tors. theta energy: -183.659
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: 7, replica: 10
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -2148.894163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.894163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.035231 (E_RNA)
where:
Base-Base interactions energy: -1485.358
where: short stacking energy: -622.468
Base-Backbone interact. energy: -2.767
local terms energy: -662.910541
where:
bonds (distance) C4'-P energy: -131.059
bonds (distance) P-C4' energy: -143.579
flat angles C4'-P-C4' energy: -137.687
flat angles P-C4'-P energy: -87.982
tors. eta vs tors. theta energy: -162.605
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: 8
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -1957.820116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.820116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.374813 (E_RNA)
where:
Base-Base interactions energy: -1313.700
where: short stacking energy: -578.535
Base-Backbone interact. energy: -1.070
local terms energy: -648.604962
where:
bonds (distance) C4'-P energy: -121.541
bonds (distance) P-C4' energy: -141.512
flat angles C4'-P-C4' energy: -136.924
flat angles P-C4'-P energy: -96.211
tors. eta vs tors. theta energy: -152.417
Dist. restrs. and SS energy: 5.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -1911.312799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.312799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.115547 (E_RNA)
where:
Base-Base interactions energy: -1294.552
where: short stacking energy: -532.877
Base-Backbone interact. energy: 2.162
local terms energy: -621.725136
where:
bonds (distance) C4'-P energy: -135.404
bonds (distance) P-C4' energy: -146.698
flat angles C4'-P-C4' energy: -137.915
flat angles P-C4'-P energy: -85.136
tors. eta vs tors. theta energy: -116.573
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: 3
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -1848.313641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.313641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.698405 (E_RNA)
where:
Base-Base interactions energy: -1231.208
where: short stacking energy: -495.781
Base-Backbone interact. energy: 2.203
local terms energy: -620.693653
where:
bonds (distance) C4'-P energy: -141.403
bonds (distance) P-C4' energy: -133.616
flat angles C4'-P-C4' energy: -137.715
flat angles P-C4'-P energy: -76.368
tors. eta vs tors. theta energy: -131.592
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: 1, replica: 9
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -2813.123050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.123050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.342037 (E_RNA)
where:
Base-Base interactions energy: -1952.726
where: short stacking energy: -829.554
Base-Backbone interact. energy: -2.004
local terms energy: -859.612255
where:
bonds (distance) C4'-P energy: -155.492
bonds (distance) P-C4' energy: -161.385
flat angles C4'-P-C4' energy: -190.188
flat angles P-C4'-P energy: -121.751
tors. eta vs tors. theta energy: -230.796
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: 2
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -2689.302438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.302438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.084226 (E_RNA)
where:
Base-Base interactions energy: -1843.898
where: short stacking energy: -796.712
Base-Backbone interact. energy: 0.102
local terms energy: -847.288260
where:
bonds (distance) C4'-P energy: -162.264
bonds (distance) P-C4' energy: -155.454
flat angles C4'-P-C4' energy: -179.005
flat angles P-C4'-P energy: -125.650
tors. eta vs tors. theta energy: -224.915
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: 92
Temperature: 1.000000
Total energy: -2565.578376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.578376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.051058 (E_RNA)
where:
Base-Base interactions energy: -1746.950
where: short stacking energy: -738.052
Base-Backbone interact. energy: 1.204
local terms energy: -821.305545
where:
bonds (distance) C4'-P energy: -155.842
bonds (distance) P-C4' energy: -152.880
flat angles C4'-P-C4' energy: -172.942
flat angles P-C4'-P energy: -117.900
tors. eta vs tors. theta energy: -221.742
Dist. restrs. and SS energy: 1.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -2436.065481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.065481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.064535 (E_RNA)
where:
Base-Base interactions energy: -1655.934
where: short stacking energy: -720.842
Base-Backbone interact. energy: -0.480
local terms energy: -782.650729
where:
bonds (distance) C4'-P energy: -149.615
bonds (distance) P-C4' energy: -136.631
flat angles C4'-P-C4' energy: -170.000
flat angles P-C4'-P energy: -122.045
tors. eta vs tors. theta energy: -204.361
Dist. restrs. and SS energy: 2.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -2332.389055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.389055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.955506 (E_RNA)
where:
Base-Base interactions energy: -1580.484
where: short stacking energy: -686.620
Base-Backbone interact. energy: 2.455
local terms energy: -755.926147
where:
bonds (distance) C4'-P energy: -136.736
bonds (distance) P-C4' energy: -156.585
flat angles C4'-P-C4' energy: -161.770
flat angles P-C4'-P energy: -106.874
tors. eta vs tors. theta energy: -193.961
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: 6, replica: 1
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -2216.908602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.908602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.677800 (E_RNA)
where:
Base-Base interactions energy: -1487.520
where: short stacking energy: -647.531
Base-Backbone interact. energy: 4.978
local terms energy: -736.135305
where:
bonds (distance) C4'-P energy: -130.026
bonds (distance) P-C4' energy: -147.977
flat angles C4'-P-C4' energy: -175.892
flat angles P-C4'-P energy: -107.461
tors. eta vs tors. theta energy: -174.779
Dist. restrs. and SS energy: 1.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -2151.380356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.380356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.362930 (E_RNA)
where:
Base-Base interactions energy: -1469.323
where: short stacking energy: -622.237
Base-Backbone interact. energy: 4.707
local terms energy: -688.746079
where:
bonds (distance) C4'-P energy: -144.087
bonds (distance) P-C4' energy: -154.812
flat angles C4'-P-C4' energy: -141.344
flat angles P-C4'-P energy: -92.487
tors. eta vs tors. theta energy: -156.016
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: 8, replica: 8
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -2000.784715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.784715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.517669 (E_RNA)
where:
Base-Base interactions energy: -1354.706
where: short stacking energy: -594.385
Base-Backbone interact. energy: -1.682
local terms energy: -652.129757
where:
bonds (distance) C4'-P energy: -106.253
bonds (distance) P-C4' energy: -138.125
flat angles C4'-P-C4' energy: -140.897
flat angles P-C4'-P energy: -102.876
tors. eta vs tors. theta energy: -163.979
Dist. restrs. and SS energy: 7.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -1870.985921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.985921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.280484 (E_RNA)
where:
Base-Base interactions energy: -1285.655
where: short stacking energy: -531.000
Base-Backbone interact. energy: 1.394
local terms energy: -589.019578
where:
bonds (distance) C4'-P energy: -102.938
bonds (distance) P-C4' energy: -135.958
flat angles C4'-P-C4' energy: -127.299
flat angles P-C4'-P energy: -105.893
tors. eta vs tors. theta energy: -116.932
Dist. restrs. and SS energy: 2.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -1820.983403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.983403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.099189 (E_RNA)
where:
Base-Base interactions energy: -1265.422
where: short stacking energy: -501.809
Base-Backbone interact. energy: -1.709
local terms energy: -557.968209
where:
bonds (distance) C4'-P energy: -123.736
bonds (distance) P-C4' energy: -127.689
flat angles C4'-P-C4' energy: -122.133
flat angles P-C4'-P energy: -71.376
tors. eta vs tors. theta energy: -113.034
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: 1, replica: 9
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -2772.978180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.978180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.816079 (E_RNA)
where:
Base-Base interactions energy: -1919.123
where: short stacking energy: -832.524
Base-Backbone interact. energy: 0.053
local terms energy: -855.746005
where:
bonds (distance) C4'-P energy: -159.916
bonds (distance) P-C4' energy: -149.892
flat angles C4'-P-C4' energy: -180.691
flat angles P-C4'-P energy: -124.973
tors. eta vs tors. theta energy: -240.274
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: 2
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -2685.058533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.058533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.197010 (E_RNA)
where:
Base-Base interactions energy: -1830.715
where: short stacking energy: -786.152
Base-Backbone interact. energy: -3.592
local terms energy: -852.890475
where:
bonds (distance) C4'-P energy: -150.941
bonds (distance) P-C4' energy: -175.469
flat angles C4'-P-C4' energy: -183.837
flat angles P-C4'-P energy: -124.445
tors. eta vs tors. theta energy: -218.198
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: 3, replica: 7
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -2583.467132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.467132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.003383 (E_RNA)
where:
Base-Base interactions energy: -1792.543
where: short stacking energy: -731.676
Base-Backbone interact. energy: 2.577
local terms energy: -795.037094
where:
bonds (distance) C4'-P energy: -151.649
bonds (distance) P-C4' energy: -156.637
flat angles C4'-P-C4' energy: -166.578
flat angles P-C4'-P energy: -111.833
tors. eta vs tors. theta energy: -208.341
Dist. restrs. and SS energy: 1.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -2440.334074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.334074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.288207 (E_RNA)
where:
Base-Base interactions energy: -1670.760
where: short stacking energy: -715.857
Base-Backbone interact. energy: -0.891
local terms energy: -770.637112
where:
bonds (distance) C4'-P energy: -138.952
bonds (distance) P-C4' energy: -153.610
flat angles C4'-P-C4' energy: -172.193
flat angles P-C4'-P energy: -104.271
tors. eta vs tors. theta energy: -201.611
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: 5, replica: 6
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -2284.133826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.133826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.133207 (E_RNA)
where:
Base-Base interactions energy: -1523.474
where: short stacking energy: -664.525
Base-Backbone interact. energy: 7.890
local terms energy: -770.550031
where:
bonds (distance) C4'-P energy: -161.563
bonds (distance) P-C4' energy: -147.288
flat angles C4'-P-C4' energy: -177.056
flat angles P-C4'-P energy: -99.018
tors. eta vs tors. theta energy: -185.625
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: 6, replica: 10
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -2201.530654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.530654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.369898 (E_RNA)
where:
Base-Base interactions energy: -1510.127
where: short stacking energy: -640.845
Base-Backbone interact. energy: -2.406
local terms energy: -690.837069
where:
bonds (distance) C4'-P energy: -121.624
bonds (distance) P-C4' energy: -136.996
flat angles C4'-P-C4' energy: -149.995
flat angles P-C4'-P energy: -103.971
tors. eta vs tors. theta energy: -178.250
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: 7, replica: 1
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -2078.378876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.378876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.384517 (E_RNA)
where:
Base-Base interactions energy: -1404.086
where: short stacking energy: -589.711
Base-Backbone interact. energy: 4.782
local terms energy: -680.081042
where:
bonds (distance) C4'-P energy: -132.007
bonds (distance) P-C4' energy: -142.376
flat angles C4'-P-C4' energy: -147.002
flat angles P-C4'-P energy: -97.105
tors. eta vs tors. theta energy: -161.591
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: 8, replica: 8
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -2067.365221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.365221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.080022 (E_RNA)
where:
Base-Base interactions energy: -1398.236
where: short stacking energy: -615.441
Base-Backbone interact. energy: -0.098
local terms energy: -671.746577
where:
bonds (distance) C4'-P energy: -125.231
bonds (distance) P-C4' energy: -136.344
flat angles C4'-P-C4' energy: -149.197
flat angles P-C4'-P energy: -86.847
tors. eta vs tors. theta energy: -174.128
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: 9, replica: 5
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -1927.334330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.334330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.772192 (E_RNA)
where:
Base-Base interactions energy: -1300.521
where: short stacking energy: -545.737
Base-Backbone interact. energy: 1.095
local terms energy: -631.345747
where:
bonds (distance) C4'-P energy: -131.841
bonds (distance) P-C4' energy: -135.902
flat angles C4'-P-C4' energy: -132.434
flat angles P-C4'-P energy: -94.313
tors. eta vs tors. theta energy: -136.856
Dist. restrs. and SS energy: 3.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -1864.161232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.161232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.041686 (E_RNA)
where:
Base-Base interactions energy: -1258.942
where: short stacking energy: -524.691
Base-Backbone interact. energy: -1.103
local terms energy: -611.996897
where:
bonds (distance) C4'-P energy: -124.657
bonds (distance) P-C4' energy: -135.614
flat angles C4'-P-C4' energy: -137.360
flat angles P-C4'-P energy: -82.192
tors. eta vs tors. theta energy: -132.174
Dist. restrs. and SS energy: 7.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -2781.775982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.775982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.566456 (E_RNA)
where:
Base-Base interactions energy: -1894.556
where: short stacking energy: -825.574
Base-Backbone interact. energy: -2.485
local terms energy: -886.525906
where:
bonds (distance) C4'-P energy: -156.838
bonds (distance) P-C4' energy: -168.374
flat angles C4'-P-C4' energy: -180.880
flat angles P-C4'-P energy: -125.831
tors. eta vs tors. theta energy: -254.603
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: 2, replica: 2
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -2679.417972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.417972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.735097 (E_RNA)
where:
Base-Base interactions energy: -1828.689
where: short stacking energy: -783.323
Base-Backbone interact. energy: -0.388
local terms energy: -851.658694
where:
bonds (distance) C4'-P energy: -156.137
bonds (distance) P-C4' energy: -164.120
flat angles C4'-P-C4' energy: -172.169
flat angles P-C4'-P energy: -126.317
tors. eta vs tors. theta energy: -232.915
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: 7
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -2568.699503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.699503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.601803 (E_RNA)
where:
Base-Base interactions energy: -1764.587
where: short stacking energy: -740.585
Base-Backbone interact. energy: 2.243
local terms energy: -808.257745
where:
bonds (distance) C4'-P energy: -162.204
bonds (distance) P-C4' energy: -144.153
flat angles C4'-P-C4' energy: -172.259
flat angles P-C4'-P energy: -116.723
tors. eta vs tors. theta energy: -212.918
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: 4
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -2462.471022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.471022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.630540 (E_RNA)
where:
Base-Base interactions energy: -1656.130
where: short stacking energy: -707.072
Base-Backbone interact. energy: -2.640
local terms energy: -805.860033
where:
bonds (distance) C4'-P energy: -140.365
bonds (distance) P-C4' energy: -168.118
flat angles C4'-P-C4' energy: -173.752
flat angles P-C4'-P energy: -107.780
tors. eta vs tors. theta energy: -215.845
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: 5, replica: 6
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -2287.992826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.992826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.725522 (E_RNA)
where:
Base-Base interactions energy: -1573.812
where: short stacking energy: -676.335
Base-Backbone interact. energy: 1.027
local terms energy: -716.941159
where:
bonds (distance) C4'-P energy: -137.077
bonds (distance) P-C4' energy: -136.704
flat angles C4'-P-C4' energy: -170.492
flat angles P-C4'-P energy: -89.948
tors. eta vs tors. theta energy: -182.720
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: 6, replica: 10
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -2179.773299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.773299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.497003 (E_RNA)
where:
Base-Base interactions energy: -1465.160
where: short stacking energy: -640.491
Base-Backbone interact. energy: -2.322
local terms energy: -714.015424
where:
bonds (distance) C4'-P energy: -134.745
bonds (distance) P-C4' energy: -144.268
flat angles C4'-P-C4' energy: -156.667
flat angles P-C4'-P energy: -106.193
tors. eta vs tors. theta energy: -172.142
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: 7, replica: 1
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -2114.346083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.346083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.630218 (E_RNA)
where:
Base-Base interactions energy: -1446.512
where: short stacking energy: -613.309
Base-Backbone interact. energy: 1.895
local terms energy: -672.012631
where:
bonds (distance) C4'-P energy: -118.500
bonds (distance) P-C4' energy: -136.941
flat angles C4'-P-C4' energy: -156.843
flat angles P-C4'-P energy: -86.411
tors. eta vs tors. theta energy: -173.317
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: 8, replica: 8
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -1959.000327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.000327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.385479 (E_RNA)
where:
Base-Base interactions energy: -1330.047
where: short stacking energy: -565.748
Base-Backbone interact. energy: -2.343
local terms energy: -629.995364
where:
bonds (distance) C4'-P energy: -133.417
bonds (distance) P-C4' energy: -141.668
flat angles C4'-P-C4' energy: -137.295
flat angles P-C4'-P energy: -79.808
tors. eta vs tors. theta energy: -137.808
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: 9, replica: 5
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -1895.539308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.539308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.203104 (E_RNA)
where:
Base-Base interactions energy: -1295.147
where: short stacking energy: -562.848
Base-Backbone interact. energy: -4.603
local terms energy: -598.453780
where:
bonds (distance) C4'-P energy: -121.110
bonds (distance) P-C4' energy: -149.071
flat angles C4'-P-C4' energy: -133.314
flat angles P-C4'-P energy: -70.281
tors. eta vs tors. theta energy: -124.678
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: 10, replica: 3
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -1866.224675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.224675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.656899 (E_RNA)
where:
Base-Base interactions energy: -1268.351
where: short stacking energy: -512.607
Base-Backbone interact. energy: -1.709
local terms energy: -603.597168
where:
bonds (distance) C4'-P energy: -117.026
bonds (distance) P-C4' energy: -131.534
flat angles C4'-P-C4' energy: -144.340
flat angles P-C4'-P energy: -78.183
tors. eta vs tors. theta energy: -132.514
Dist. restrs. and SS energy: 7.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -2825.062291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.062291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.188508 (E_RNA)
where:
Base-Base interactions energy: -1954.091
where: short stacking energy: -851.577
Base-Backbone interact. energy: -4.569
local terms energy: -867.528989
where:
bonds (distance) C4'-P energy: -155.923
bonds (distance) P-C4' energy: -156.907
flat angles C4'-P-C4' energy: -188.407
flat angles P-C4'-P energy: -121.259
tors. eta vs tors. theta energy: -245.032
Dist. restrs. and SS energy: 1.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -2653.101225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.101225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.234697 (E_RNA)
where:
Base-Base interactions energy: -1838.567
where: short stacking energy: -761.505
Base-Backbone interact. energy: -1.824
local terms energy: -813.843905
where:
bonds (distance) C4'-P energy: -143.405
bonds (distance) P-C4' energy: -168.925
flat angles C4'-P-C4' energy: -183.383
flat angles P-C4'-P energy: -98.632
tors. eta vs tors. theta energy: -219.499
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: 3, replica: 7
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -2553.516200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.516200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.024546 (E_RNA)
where:
Base-Base interactions energy: -1759.951
where: short stacking energy: -739.602
Base-Backbone interact. energy: 5.327
local terms energy: -801.400433
where:
bonds (distance) C4'-P energy: -139.624
bonds (distance) P-C4' energy: -164.449
flat angles C4'-P-C4' energy: -170.427
flat angles P-C4'-P energy: -107.455
tors. eta vs tors. theta energy: -219.446
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: 4, replica: 4
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -2402.479783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.479783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.160098 (E_RNA)
where:
Base-Base interactions energy: -1626.846
where: short stacking energy: -736.854
Base-Backbone interact. energy: -0.946
local terms energy: -776.368194
where:
bonds (distance) C4'-P energy: -145.907
bonds (distance) P-C4' energy: -145.354
flat angles C4'-P-C4' energy: -166.423
flat angles P-C4'-P energy: -107.602
tors. eta vs tors. theta energy: -211.082
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: 5, replica: 6
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -2269.997140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.997140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.685348 (E_RNA)
where:
Base-Base interactions energy: -1507.984
where: short stacking energy: -667.699
Base-Backbone interact. energy: -3.151
local terms energy: -761.550715
where:
bonds (distance) C4'-P energy: -140.176
bonds (distance) P-C4' energy: -170.024
flat angles C4'-P-C4' energy: -155.428
flat angles P-C4'-P energy: -115.945
tors. eta vs tors. theta energy: -179.978
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: 6, replica: 1
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -2188.488584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.488584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.748436 (E_RNA)
where:
Base-Base interactions energy: -1466.941
where: short stacking energy: -647.965
Base-Backbone interact. energy: 5.912
local terms energy: -730.718975
where:
bonds (distance) C4'-P energy: -130.715
bonds (distance) P-C4' energy: -154.114
flat angles C4'-P-C4' energy: -164.083
flat angles P-C4'-P energy: -100.591
tors. eta vs tors. theta energy: -181.216
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: 7, replica: 10
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -2077.427888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.427888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.607836 (E_RNA)
where:
Base-Base interactions energy: -1414.399
where: short stacking energy: -586.722
Base-Backbone interact. energy: -2.761
local terms energy: -662.448157
where:
bonds (distance) C4'-P energy: -120.972
bonds (distance) P-C4' energy: -148.147
flat angles C4'-P-C4' energy: -152.332
flat angles P-C4'-P energy: -97.980
tors. eta vs tors. theta energy: -143.017
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: 8, replica: 5
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -1975.210411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.210411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.028379 (E_RNA)
where:
Base-Base interactions energy: -1307.749
where: short stacking energy: -541.628
Base-Backbone interact. energy: -2.684
local terms energy: -667.594791
where:
bonds (distance) C4'-P energy: -122.103
bonds (distance) P-C4' energy: -135.267
flat angles C4'-P-C4' energy: -149.610
flat angles P-C4'-P energy: -104.625
tors. eta vs tors. theta energy: -155.989
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: 9, replica: 8
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -1896.384560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.384560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.700754 (E_RNA)
where:
Base-Base interactions energy: -1288.729
where: short stacking energy: -537.340
Base-Backbone interact. energy: 0.999
local terms energy: -623.970705
where:
bonds (distance) C4'-P energy: -126.616
bonds (distance) P-C4' energy: -143.244
flat angles C4'-P-C4' energy: -140.646
flat angles P-C4'-P energy: -85.799
tors. eta vs tors. theta energy: -127.666
Dist. restrs. and SS energy: 15.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -1857.877204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.877204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.262974 (E_RNA)
where:
Base-Base interactions energy: -1309.267
where: short stacking energy: -537.056
Base-Backbone interact. energy: 0.924
local terms energy: -551.919970
where:
bonds (distance) C4'-P energy: -108.280
bonds (distance) P-C4' energy: -118.922
flat angles C4'-P-C4' energy: -133.451
flat angles P-C4'-P energy: -74.747
tors. eta vs tors. theta energy: -116.521
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: 1, replica: 9
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -2805.140462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.140462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.131301 (E_RNA)
where:
Base-Base interactions energy: -1915.335
where: short stacking energy: -794.144
Base-Backbone interact. energy: -5.736
local terms energy: -885.060290
where:
bonds (distance) C4'-P energy: -169.978
bonds (distance) P-C4' energy: -163.500
flat angles C4'-P-C4' energy: -200.584
flat angles P-C4'-P energy: -119.098
tors. eta vs tors. theta energy: -231.900
Dist. restrs. and SS energy: 0.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -2657.278594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.278594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.041001 (E_RNA)
where:
Base-Base interactions energy: -1848.518
where: short stacking energy: -770.963
Base-Backbone interact. energy: 0.298
local terms energy: -810.821133
where:
bonds (distance) C4'-P energy: -159.194
bonds (distance) P-C4' energy: -152.038
flat angles C4'-P-C4' energy: -170.396
flat angles P-C4'-P energy: -113.885
tors. eta vs tors. theta energy: -215.309
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: 7
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -2558.931921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.931921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.868755 (E_RNA)
where:
Base-Base interactions energy: -1780.783
where: short stacking energy: -751.550
Base-Backbone interact. energy: 1.251
local terms energy: -781.336785
where:
bonds (distance) C4'-P energy: -146.252
bonds (distance) P-C4' energy: -159.559
flat angles C4'-P-C4' energy: -164.003
flat angles P-C4'-P energy: -101.228
tors. eta vs tors. theta energy: -210.295
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: 4, replica: 4
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -2414.147203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.147203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.919312 (E_RNA)
where:
Base-Base interactions energy: -1626.371
where: short stacking energy: -720.524
Base-Backbone interact. energy: -0.829
local terms energy: -788.719827
where:
bonds (distance) C4'-P energy: -134.577
bonds (distance) P-C4' energy: -157.040
flat angles C4'-P-C4' energy: -173.809
flat angles P-C4'-P energy: -102.928
tors. eta vs tors. theta energy: -220.366
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: 6
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -2291.755011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.755011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.693528 (E_RNA)
where:
Base-Base interactions energy: -1522.826
where: short stacking energy: -666.776
Base-Backbone interact. energy: -1.721
local terms energy: -769.145723
where:
bonds (distance) C4'-P energy: -149.129
bonds (distance) P-C4' energy: -157.511
flat angles C4'-P-C4' energy: -156.885
flat angles P-C4'-P energy: -111.515
tors. eta vs tors. theta energy: -194.105
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: 6, replica: 1
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -2217.403662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.403662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.974580 (E_RNA)
where:
Base-Base interactions energy: -1507.783
where: short stacking energy: -638.414
Base-Backbone interact. energy: 2.734
local terms energy: -714.926462
where:
bonds (distance) C4'-P energy: -136.899
bonds (distance) P-C4' energy: -156.864
flat angles C4'-P-C4' energy: -160.904
flat angles P-C4'-P energy: -93.179
tors. eta vs tors. theta energy: -167.080
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: 7, replica: 10
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -2145.443694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.443694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.977028 (E_RNA)
where:
Base-Base interactions energy: -1456.994
where: short stacking energy: -606.821
Base-Backbone interact. energy: -3.175
local terms energy: -687.808454
where:
bonds (distance) C4'-P energy: -133.233
bonds (distance) P-C4' energy: -152.191
flat angles C4'-P-C4' energy: -139.713
flat angles P-C4'-P energy: -108.319
tors. eta vs tors. theta energy: -154.352
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: 8, replica: 5
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -1971.685738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.685738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.884154 (E_RNA)
where:
Base-Base interactions energy: -1289.786
where: short stacking energy: -560.046
Base-Backbone interact. energy: 1.104
local terms energy: -686.202703
where:
bonds (distance) C4'-P energy: -127.219
bonds (distance) P-C4' energy: -153.720
flat angles C4'-P-C4' energy: -135.026
flat angles P-C4'-P energy: -108.686
tors. eta vs tors. theta energy: -161.551
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: 9, replica: 8
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -1956.993647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.993647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.870382 (E_RNA)
where:
Base-Base interactions energy: -1344.866
where: short stacking energy: -566.270
Base-Backbone interact. energy: -4.396
local terms energy: -611.609036
where:
bonds (distance) C4'-P energy: -123.616
bonds (distance) P-C4' energy: -130.523
flat angles C4'-P-C4' energy: -143.391
flat angles P-C4'-P energy: -75.773
tors. eta vs tors. theta energy: -138.306
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: 3
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -1809.991123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.991123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.091109 (E_RNA)
where:
Base-Base interactions energy: -1206.532
where: short stacking energy: -494.438
Base-Backbone interact. energy: -4.941
local terms energy: -601.617958
where:
bonds (distance) C4'-P energy: -132.873
bonds (distance) P-C4' energy: -136.147
flat angles C4'-P-C4' energy: -136.228
flat angles P-C4'-P energy: -76.571
tors. eta vs tors. theta energy: -119.799
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: 1, replica: 9
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -2837.067769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2837.067769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.043194 (E_RNA)
where:
Base-Base interactions energy: -1940.200
where: short stacking energy: -819.693
Base-Backbone interact. energy: -2.477
local terms energy: -895.366507
where:
bonds (distance) C4'-P energy: -162.583
bonds (distance) P-C4' energy: -173.966
flat angles C4'-P-C4' energy: -184.982
flat angles P-C4'-P energy: -126.407
tors. eta vs tors. theta energy: -247.427
Dist. restrs. and SS energy: 0.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -2709.007636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.007636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.598597 (E_RNA)
where:
Base-Base interactions energy: -1830.692
where: short stacking energy: -783.233
Base-Backbone interact. energy: -2.867
local terms energy: -877.039537
where:
bonds (distance) C4'-P energy: -161.552
bonds (distance) P-C4' energy: -170.159
flat angles C4'-P-C4' energy: -178.342
flat angles P-C4'-P energy: -124.841
tors. eta vs tors. theta energy: -242.145
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: 3, replica: 7
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -2602.412280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.412280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.704238 (E_RNA)
where:
Base-Base interactions energy: -1807.755
where: short stacking energy: -801.193
Base-Backbone interact. energy: -0.590
local terms energy: -795.358966
where:
bonds (distance) C4'-P energy: -147.804
bonds (distance) P-C4' energy: -143.963
flat angles C4'-P-C4' energy: -169.739
flat angles P-C4'-P energy: -105.685
tors. eta vs tors. theta energy: -228.168
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: 4, replica: 4
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -2427.537128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.537128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.541897 (E_RNA)
where:
Base-Base interactions energy: -1656.466
where: short stacking energy: -718.698
Base-Backbone interact. energy: 0.299
local terms energy: -773.375508
where:
bonds (distance) C4'-P energy: -142.158
bonds (distance) P-C4' energy: -152.335
flat angles C4'-P-C4' energy: -154.337
flat angles P-C4'-P energy: -113.313
tors. eta vs tors. theta energy: -211.233
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: 5, replica: 6
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -2259.719361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.719361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.981170 (E_RNA)
where:
Base-Base interactions energy: -1533.555
where: short stacking energy: -659.973
Base-Backbone interact. energy: -3.398
local terms energy: -725.028290
where:
bonds (distance) C4'-P energy: -143.975
bonds (distance) P-C4' energy: -147.398
flat angles C4'-P-C4' energy: -157.645
flat angles P-C4'-P energy: -105.204
tors. eta vs tors. theta energy: -170.807
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: 1
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -2236.248976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.248976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.191003 (E_RNA)
where:
Base-Base interactions energy: -1491.949
where: short stacking energy: -653.842
Base-Backbone interact. energy: 0.617
local terms energy: -746.858883
where:
bonds (distance) C4'-P energy: -131.029
bonds (distance) P-C4' energy: -154.602
flat angles C4'-P-C4' energy: -170.733
flat angles P-C4'-P energy: -102.509
tors. eta vs tors. theta energy: -187.986
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: 7, replica: 10
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -2112.454022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.454022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.630227 (E_RNA)
where:
Base-Base interactions energy: -1385.871
where: short stacking energy: -621.034
Base-Backbone interact. energy: -0.989
local terms energy: -728.770187
where:
bonds (distance) C4'-P energy: -145.838
bonds (distance) P-C4' energy: -133.779
flat angles C4'-P-C4' energy: -177.741
flat angles P-C4'-P energy: -96.421
tors. eta vs tors. theta energy: -174.991
Dist. restrs. and SS energy: 3.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -2071.240853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.240853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.952339 (E_RNA)
where:
Base-Base interactions energy: -1398.778
where: short stacking energy: -604.503
Base-Backbone interact. energy: 5.073
local terms energy: -679.247325
where:
bonds (distance) C4'-P energy: -105.071
bonds (distance) P-C4' energy: -148.997
flat angles C4'-P-C4' energy: -154.672
flat angles P-C4'-P energy: -103.575
tors. eta vs tors. theta energy: -166.932
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: 9, replica: 8
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -1930.459518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.459518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.002038 (E_RNA)
where:
Base-Base interactions energy: -1327.957
where: short stacking energy: -564.861
Base-Backbone interact. energy: 1.361
local terms energy: -606.406239
where:
bonds (distance) C4'-P energy: -118.447
bonds (distance) P-C4' energy: -135.586
flat angles C4'-P-C4' energy: -137.889
flat angles P-C4'-P energy: -66.378
tors. eta vs tors. theta energy: -148.106
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: 10, replica: 3
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -1819.334631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.334631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.276610 (E_RNA)
where:
Base-Base interactions energy: -1248.509
where: short stacking energy: -510.072
Base-Backbone interact. energy: -1.688
local terms energy: -574.079382
where:
bonds (distance) C4'-P energy: -125.662
bonds (distance) P-C4' energy: -136.254
flat angles C4'-P-C4' energy: -135.171
flat angles P-C4'-P energy: -69.653
tors. eta vs tors. theta energy: -107.339
Dist. restrs. and SS energy: 4.942 (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: 98
Temperature: 0.900000
Total energy: -2800.989499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.989499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.094686 (E_RNA)
where:
Base-Base interactions energy: -1953.723
where: short stacking energy: -848.821
Base-Backbone interact. energy: -1.076
local terms energy: -847.295886
where:
bonds (distance) C4'-P energy: -162.499
bonds (distance) P-C4' energy: -145.015
flat angles C4'-P-C4' energy: -184.942
flat angles P-C4'-P energy: -111.178
tors. eta vs tors. theta energy: -243.662
Dist. restrs. and SS energy: 1.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -2659.006466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.006466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.144670 (E_RNA)
where:
Base-Base interactions energy: -1798.345
where: short stacking energy: -762.462
Base-Backbone interact. energy: -2.447
local terms energy: -860.352841
where:
bonds (distance) C4'-P energy: -156.426
bonds (distance) P-C4' energy: -156.549
flat angles C4'-P-C4' energy: -187.767
flat angles P-C4'-P energy: -132.780
tors. eta vs tors. theta energy: -226.831
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: 3, replica: 7
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -2591.190677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.190677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.665297 (E_RNA)
where:
Base-Base interactions energy: -1760.302
where: short stacking energy: -774.610
Base-Backbone interact. energy: 1.734
local terms energy: -834.097199
where:
bonds (distance) C4'-P energy: -156.971
bonds (distance) P-C4' energy: -165.096
flat angles C4'-P-C4' energy: -170.967
flat angles P-C4'-P energy: -119.765
tors. eta vs tors. theta energy: -221.298
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: 4, replica: 4
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -2452.630648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.630648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.037212 (E_RNA)
where:
Base-Base interactions energy: -1662.883
where: short stacking energy: -717.507
Base-Backbone interact. energy: -3.606
local terms energy: -788.548585
where:
bonds (distance) C4'-P energy: -153.753
bonds (distance) P-C4' energy: -139.215
flat angles C4'-P-C4' energy: -164.082
flat angles P-C4'-P energy: -121.129
tors. eta vs tors. theta energy: -210.369
Dist. restrs. and SS energy: 2.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -2301.770680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.770680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.451145 (E_RNA)
where:
Base-Base interactions energy: -1527.620
where: short stacking energy: -656.739
Base-Backbone interact. energy: -3.612
local terms energy: -772.219083
where:
bonds (distance) C4'-P energy: -140.739
bonds (distance) P-C4' energy: -161.157
flat angles C4'-P-C4' energy: -173.818
flat angles P-C4'-P energy: -105.603
tors. eta vs tors. theta energy: -190.903
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: 6, replica: 1
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -2226.256886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.256886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.598047 (E_RNA)
where:
Base-Base interactions energy: -1462.505
where: short stacking energy: -645.614
Base-Backbone interact. energy: -2.390
local terms energy: -763.703924
where:
bonds (distance) C4'-P energy: -146.133
bonds (distance) P-C4' energy: -160.141
flat angles C4'-P-C4' energy: -153.940
flat angles P-C4'-P energy: -109.766
tors. eta vs tors. theta energy: -193.724
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: 10
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -2075.746259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.746259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.641408 (E_RNA)
where:
Base-Base interactions energy: -1383.985
where: short stacking energy: -603.109
Base-Backbone interact. energy: -2.084
local terms energy: -692.573084
where:
bonds (distance) C4'-P energy: -149.737
bonds (distance) P-C4' energy: -139.916
flat angles C4'-P-C4' energy: -136.916
flat angles P-C4'-P energy: -95.648
tors. eta vs tors. theta energy: -170.357
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: 8, replica: 5
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -1994.685482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.685482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.019445 (E_RNA)
where:
Base-Base interactions energy: -1360.593
where: short stacking energy: -582.128
Base-Backbone interact. energy: -5.515
local terms energy: -632.911243
where:
bonds (distance) C4'-P energy: -132.083
bonds (distance) P-C4' energy: -133.016
flat angles C4'-P-C4' energy: -148.301
flat angles P-C4'-P energy: -90.819
tors. eta vs tors. theta energy: -128.693
Dist. restrs. and SS energy: 4.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -1937.604952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.604952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.641976 (E_RNA)
where:
Base-Base interactions energy: -1360.775
where: short stacking energy: -524.793
Base-Backbone interact. energy: -1.767
local terms energy: -577.099815
where:
bonds (distance) C4'-P energy: -109.531
bonds (distance) P-C4' energy: -122.768
flat angles C4'-P-C4' energy: -122.720
flat angles P-C4'-P energy: -90.662
tors. eta vs tors. theta energy: -131.419
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: 10, replica: 3
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -1838.730909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.730909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.798531 (E_RNA)
where:
Base-Base interactions energy: -1280.979
where: short stacking energy: -545.894
Base-Backbone interact. energy: -1.778
local terms energy: -563.041602
where:
bonds (distance) C4'-P energy: -130.133
bonds (distance) P-C4' energy: -90.726
flat angles C4'-P-C4' energy: -138.336
flat angles P-C4'-P energy: -74.590
tors. eta vs tors. theta energy: -129.257
Dist. restrs. and SS energy: 7.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -2804.487887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.487887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.016115 (E_RNA)
where:
Base-Base interactions energy: -1909.171
where: short stacking energy: -807.220
Base-Backbone interact. energy: -1.062
local terms energy: -895.782653
where:
bonds (distance) C4'-P energy: -159.571
bonds (distance) P-C4' energy: -171.223
flat angles C4'-P-C4' energy: -186.565
flat angles P-C4'-P energy: -132.712
tors. eta vs tors. theta energy: -245.712
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: 2, replica: 2
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -2670.155164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.155164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.684664 (E_RNA)
where:
Base-Base interactions energy: -1821.140
where: short stacking energy: -775.453
Base-Backbone interact. energy: -2.826
local terms energy: -848.718314
where:
bonds (distance) C4'-P energy: -158.814
bonds (distance) P-C4' energy: -159.322
flat angles C4'-P-C4' energy: -188.237
flat angles P-C4'-P energy: -112.466
tors. eta vs tors. theta energy: -229.879
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: 3, replica: 7
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -2555.451211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.451211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.884946 (E_RNA)
where:
Base-Base interactions energy: -1728.569
where: short stacking energy: -738.821
Base-Backbone interact. energy: -2.872
local terms energy: -826.444169
where:
bonds (distance) C4'-P energy: -155.756
bonds (distance) P-C4' energy: -149.209
flat angles C4'-P-C4' energy: -179.907
flat angles P-C4'-P energy: -114.535
tors. eta vs tors. theta energy: -227.038
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: 4, replica: 4
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -2441.183968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.183968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.650419 (E_RNA)
where:
Base-Base interactions energy: -1642.429
where: short stacking energy: -711.370
Base-Backbone interact. energy: -2.428
local terms energy: -797.793607
where:
bonds (distance) C4'-P energy: -147.129
bonds (distance) P-C4' energy: -155.032
flat angles C4'-P-C4' energy: -169.449
flat angles P-C4'-P energy: -118.329
tors. eta vs tors. theta energy: -207.854
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: 5, replica: 6
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -2346.999574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.999574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.025579 (E_RNA)
where:
Base-Base interactions energy: -1571.722
where: short stacking energy: -702.942
Base-Backbone interact. energy: -3.567
local terms energy: -772.735967
where:
bonds (distance) C4'-P energy: -147.762
bonds (distance) P-C4' energy: -138.266
flat angles C4'-P-C4' energy: -180.345
flat angles P-C4'-P energy: -100.808
tors. eta vs tors. theta energy: -205.554
Dist. restrs. and SS energy: 1.026 (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: 1
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -2219.987653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.987653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.655243 (E_RNA)
where:
Base-Base interactions energy: -1476.293
where: short stacking energy: -648.187
Base-Backbone interact. energy: 1.575
local terms energy: -746.937679
where:
bonds (distance) C4'-P energy: -136.580
bonds (distance) P-C4' energy: -146.493
flat angles C4'-P-C4' energy: -160.721
flat angles P-C4'-P energy: -111.406
tors. eta vs tors. theta energy: -191.738
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: 7, replica: 10
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -2125.407738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.407738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.806543 (E_RNA)
where:
Base-Base interactions energy: -1433.998
where: short stacking energy: -639.574
Base-Backbone interact. energy: 1.410
local terms energy: -695.217922
where:
bonds (distance) C4'-P energy: -119.894
bonds (distance) P-C4' energy: -138.515
flat angles C4'-P-C4' energy: -160.551
flat angles P-C4'-P energy: -100.331
tors. eta vs tors. theta energy: -175.927
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: 8, replica: 5
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -2005.532887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.532887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.841328 (E_RNA)
where:
Base-Base interactions energy: -1359.986
where: short stacking energy: -537.436
Base-Backbone interact. energy: 4.945
local terms energy: -652.800319
where:
bonds (distance) C4'-P energy: -128.795
bonds (distance) P-C4' energy: -128.546
flat angles C4'-P-C4' energy: -151.652
flat angles P-C4'-P energy: -110.731
tors. eta vs tors. theta energy: -133.076
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: 9, replica: 8
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -1923.644432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.644432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.995278 (E_RNA)
where:
Base-Base interactions energy: -1289.079
where: short stacking energy: -535.537
Base-Backbone interact. energy: -2.977
local terms energy: -633.939014
where:
bonds (distance) C4'-P energy: -137.337
bonds (distance) P-C4' energy: -135.029
flat angles C4'-P-C4' energy: -136.546
flat angles P-C4'-P energy: -100.106
tors. eta vs tors. theta energy: -124.922
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: 10, replica: 3
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -1850.426684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.426684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.851130 (E_RNA)
where:
Base-Base interactions energy: -1264.052
where: short stacking energy: -533.690
Base-Backbone interact. energy: 3.390
local terms energy: -604.189114
where:
bonds (distance) C4'-P energy: -131.175
bonds (distance) P-C4' energy: -115.712
flat angles C4'-P-C4' energy: -121.662
flat angles P-C4'-P energy: -94.830
tors. eta vs tors. theta energy: -140.809
Dist. restrs. and SS energy: 14.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -2833.871651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2833.871651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.883375 (E_RNA)
where:
Base-Base interactions energy: -1948.290
where: short stacking energy: -850.958
Base-Backbone interact. energy: -3.412
local terms energy: -884.181234
where:
bonds (distance) C4'-P energy: -158.112
bonds (distance) P-C4' energy: -163.694
flat angles C4'-P-C4' energy: -194.443
flat angles P-C4'-P energy: -120.109
tors. eta vs tors. theta energy: -247.824
Dist. restrs. and SS energy: 2.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -2677.381006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.381006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.432036 (E_RNA)
where:
Base-Base interactions energy: -1834.052
where: short stacking energy: -818.352
Base-Backbone interact. energy: 3.121
local terms energy: -847.501278
where:
bonds (distance) C4'-P energy: -147.740
bonds (distance) P-C4' energy: -154.873
flat angles C4'-P-C4' energy: -186.885
flat angles P-C4'-P energy: -127.057
tors. eta vs tors. theta energy: -230.946
Dist. restrs. and SS energy: 1.051 (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: 7
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -2617.583925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.583925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.739095 (E_RNA)
where:
Base-Base interactions energy: -1804.866
where: short stacking energy: -770.184
Base-Backbone interact. energy: -1.627
local terms energy: -813.245530
where:
bonds (distance) C4'-P energy: -141.648
bonds (distance) P-C4' energy: -160.079
flat angles C4'-P-C4' energy: -170.737
flat angles P-C4'-P energy: -119.902
tors. eta vs tors. theta energy: -220.880
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: 4, replica: 4
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -2415.047894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.047894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.643410 (E_RNA)
where:
Base-Base interactions energy: -1630.884
where: short stacking energy: -696.830
Base-Backbone interact. energy: -1.675
local terms energy: -784.083575
where:
bonds (distance) C4'-P energy: -150.078
bonds (distance) P-C4' energy: -155.897
flat angles C4'-P-C4' energy: -161.055
flat angles P-C4'-P energy: -108.640
tors. eta vs tors. theta energy: -208.413
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: 5, replica: 6
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -2300.684240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.684240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.483900 (E_RNA)
where:
Base-Base interactions energy: -1554.794
where: short stacking energy: -655.677
Base-Backbone interact. energy: -2.546
local terms energy: -744.143662
where:
bonds (distance) C4'-P energy: -140.971
bonds (distance) P-C4' energy: -149.006
flat angles C4'-P-C4' energy: -156.895
flat angles P-C4'-P energy: -105.966
tors. eta vs tors. theta energy: -191.305
Dist. restrs. and SS energy: 0.800 (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: 1
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -2193.476880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.476880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.901050 (E_RNA)
where:
Base-Base interactions energy: -1487.645
where: short stacking energy: -640.998
Base-Backbone interact. energy: 2.843
local terms energy: -711.099047
where:
bonds (distance) C4'-P energy: -137.291
bonds (distance) P-C4' energy: -140.139
flat angles C4'-P-C4' energy: -150.693
flat angles P-C4'-P energy: -101.481
tors. eta vs tors. theta energy: -181.494
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: 10
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -2079.716439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.716439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.228837 (E_RNA)
where:
Base-Base interactions energy: -1416.680
where: short stacking energy: -638.267
Base-Backbone interact. energy: -1.013
local terms energy: -664.536327
where:
bonds (distance) C4'-P energy: -119.878
bonds (distance) P-C4' energy: -136.552
flat angles C4'-P-C4' energy: -155.117
flat angles P-C4'-P energy: -80.994
tors. eta vs tors. theta energy: -171.995
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: 5
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -1985.370566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.370566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.027385 (E_RNA)
where:
Base-Base interactions energy: -1306.578
where: short stacking energy: -547.037
Base-Backbone interact. energy: 0.648
local terms energy: -683.097369
where:
bonds (distance) C4'-P energy: -135.691
bonds (distance) P-C4' energy: -136.357
flat angles C4'-P-C4' energy: -164.686
flat angles P-C4'-P energy: -97.436
tors. eta vs tors. theta energy: -148.926
Dist. restrs. and SS energy: 3.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -1930.530999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.530999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.199285 (E_RNA)
where:
Base-Base interactions energy: -1290.540
where: short stacking energy: -547.613
Base-Backbone interact. energy: -1.968
local terms energy: -643.691831
where:
bonds (distance) C4'-P energy: -135.152
bonds (distance) P-C4' energy: -146.121
flat angles C4'-P-C4' energy: -140.815
flat angles P-C4'-P energy: -87.115
tors. eta vs tors. theta energy: -134.490
Dist. restrs. and SS energy: 5.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -1839.084346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.084346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.285853 (E_RNA)
where:
Base-Base interactions energy: -1247.718
where: short stacking energy: -528.836
Base-Backbone interact. energy: -2.066
local terms energy: -602.501715
where:
bonds (distance) C4'-P energy: -122.353
bonds (distance) P-C4' energy: -136.830
flat angles C4'-P-C4' energy: -109.679
flat angles P-C4'-P energy: -87.552
tors. eta vs tors. theta energy: -146.088
Dist. restrs. and SS energy: 13.202 (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: 101
Temperature: 0.900000
Total energy: -2818.885120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.885120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.807604 (E_RNA)
where:
Base-Base interactions energy: -1926.689
where: short stacking energy: -850.582
Base-Backbone interact. energy: -4.408
local terms energy: -888.710293
where:
bonds (distance) C4'-P energy: -152.210
bonds (distance) P-C4' energy: -170.220
flat angles C4'-P-C4' energy: -193.197
flat angles P-C4'-P energy: -122.102
tors. eta vs tors. theta energy: -250.980
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: 2, replica: 2
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -2692.659479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.659479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.293232 (E_RNA)
where:
Base-Base interactions energy: -1835.579
where: short stacking energy: -810.353
Base-Backbone interact. energy: -3.100
local terms energy: -855.614486
where:
bonds (distance) C4'-P energy: -152.505
bonds (distance) P-C4' energy: -154.171
flat angles C4'-P-C4' energy: -184.535
flat angles P-C4'-P energy: -132.263
tors. eta vs tors. theta energy: -232.141
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: 3, replica: 7
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -2588.244299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.244299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.753513 (E_RNA)
where:
Base-Base interactions energy: -1783.607
where: short stacking energy: -772.042
Base-Backbone interact. energy: -0.585
local terms energy: -805.561021
where:
bonds (distance) C4'-P energy: -140.297
bonds (distance) P-C4' energy: -159.643
flat angles C4'-P-C4' energy: -174.412
flat angles P-C4'-P energy: -116.125
tors. eta vs tors. theta energy: -215.084
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: 4
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -2418.920117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.920117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.191251 (E_RNA)
where:
Base-Base interactions energy: -1629.469
where: short stacking energy: -734.097
Base-Backbone interact. energy: 0.949
local terms energy: -792.671212
where:
bonds (distance) C4'-P energy: -156.049
bonds (distance) P-C4' energy: -151.671
flat angles C4'-P-C4' energy: -163.034
flat angles P-C4'-P energy: -105.939
tors. eta vs tors. theta energy: -215.979
Dist. restrs. and SS energy: 2.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -2266.459582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.459582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.776779 (E_RNA)
where:
Base-Base interactions energy: -1534.542
where: short stacking energy: -690.515
Base-Backbone interact. energy: 1.596
local terms energy: -736.830253
where:
bonds (distance) C4'-P energy: -153.313
bonds (distance) P-C4' energy: -136.682
flat angles C4'-P-C4' energy: -156.733
flat angles P-C4'-P energy: -97.731
tors. eta vs tors. theta energy: -192.372
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: 1
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -2211.772051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.772051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.453194 (E_RNA)
where:
Base-Base interactions energy: -1471.181
where: short stacking energy: -644.594
Base-Backbone interact. energy: -1.322
local terms energy: -741.949897
where:
bonds (distance) C4'-P energy: -156.860
bonds (distance) P-C4' energy: -130.961
flat angles C4'-P-C4' energy: -159.338
flat angles P-C4'-P energy: -114.212
tors. eta vs tors. theta energy: -180.579
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: 7, replica: 10
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -2083.534031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.534031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.089583 (E_RNA)
where:
Base-Base interactions energy: -1438.159
where: short stacking energy: -609.201
Base-Backbone interact. energy: 3.559
local terms energy: -653.489568
where:
bonds (distance) C4'-P energy: -123.179
bonds (distance) P-C4' energy: -131.463
flat angles C4'-P-C4' energy: -135.346
flat angles P-C4'-P energy: -90.052
tors. eta vs tors. theta energy: -173.450
Dist. restrs. and SS energy: 4.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -2020.120837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.120837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.828715 (E_RNA)
where:
Base-Base interactions energy: -1350.434
where: short stacking energy: -567.856
Base-Backbone interact. energy: -2.000
local terms energy: -669.394774
where:
bonds (distance) C4'-P energy: -121.394
bonds (distance) P-C4' energy: -142.559
flat angles C4'-P-C4' energy: -164.154
flat angles P-C4'-P energy: -91.393
tors. eta vs tors. theta energy: -149.896
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: 9, replica: 8
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -1938.543174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.543174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.475770 (E_RNA)
where:
Base-Base interactions energy: -1330.969
where: short stacking energy: -548.399
Base-Backbone interact. energy: 5.627
local terms energy: -615.133470
where:
bonds (distance) C4'-P energy: -113.454
bonds (distance) P-C4' energy: -123.000
flat angles C4'-P-C4' energy: -168.623
flat angles P-C4'-P energy: -90.560
tors. eta vs tors. theta energy: -119.496
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: 101
Temperature: 1.350000
Total energy: -1834.052040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.052040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.693035 (E_RNA)
where:
Base-Base interactions energy: -1260.659
where: short stacking energy: -529.553
Base-Backbone interact. energy: -1.033
local terms energy: -579.001028
where:
bonds (distance) C4'-P energy: -114.111
bonds (distance) P-C4' energy: -120.959
flat angles C4'-P-C4' energy: -140.085
flat angles P-C4'-P energy: -81.820
tors. eta vs tors. theta energy: -122.026
Dist. restrs. and SS energy: 6.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -2789.272503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.272503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.322044 (E_RNA)
where:
Base-Base interactions energy: -1875.649
where: short stacking energy: -800.731
Base-Backbone interact. energy: -4.130
local terms energy: -910.543052
where:
bonds (distance) C4'-P energy: -175.968
bonds (distance) P-C4' energy: -177.926
flat angles C4'-P-C4' energy: -187.258
flat angles P-C4'-P energy: -123.735
tors. eta vs tors. theta energy: -245.656
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: 2, replica: 2
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -2684.831980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.831980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.068578 (E_RNA)
where:
Base-Base interactions energy: -1826.004
where: short stacking energy: -808.791
Base-Backbone interact. energy: -1.100
local terms energy: -859.964219
where:
bonds (distance) C4'-P energy: -160.929
bonds (distance) P-C4' energy: -157.084
flat angles C4'-P-C4' energy: -183.504
flat angles P-C4'-P energy: -116.078
tors. eta vs tors. theta energy: -242.369
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: 3, replica: 7
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -2567.707549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.707549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.743695 (E_RNA)
where:
Base-Base interactions energy: -1758.754
where: short stacking energy: -763.123
Base-Backbone interact. energy: -4.096
local terms energy: -806.893385
where:
bonds (distance) C4'-P energy: -145.868
bonds (distance) P-C4' energy: -151.911
flat angles C4'-P-C4' energy: -175.141
flat angles P-C4'-P energy: -117.859
tors. eta vs tors. theta energy: -216.114
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: 4, replica: 4
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -2439.249961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.249961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.470871 (E_RNA)
where:
Base-Base interactions energy: -1666.363
where: short stacking energy: -712.151
Base-Backbone interact. energy: -1.412
local terms energy: -773.695933
where:
bonds (distance) C4'-P energy: -147.102
bonds (distance) P-C4' energy: -144.562
flat angles C4'-P-C4' energy: -155.970
flat angles P-C4'-P energy: -126.385
tors. eta vs tors. theta energy: -199.677
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: 5, replica: 6
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -2271.732844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.732844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.173339 (E_RNA)
where:
Base-Base interactions energy: -1514.609
where: short stacking energy: -673.230
Base-Backbone interact. energy: 3.423
local terms energy: -762.987321
where:
bonds (distance) C4'-P energy: -153.154
bonds (distance) P-C4' energy: -141.606
flat angles C4'-P-C4' energy: -162.079
flat angles P-C4'-P energy: -109.617
tors. eta vs tors. theta energy: -196.532
Dist. restrs. and SS energy: 2.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -2213.229739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.229739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.533117 (E_RNA)
where:
Base-Base interactions energy: -1494.506
where: short stacking energy: -655.061
Base-Backbone interact. energy: -1.256
local terms energy: -720.771229
where:
bonds (distance) C4'-P energy: -132.691
bonds (distance) P-C4' energy: -146.651
flat angles C4'-P-C4' energy: -156.734
flat angles P-C4'-P energy: -101.121
tors. eta vs tors. theta energy: -183.574
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: 5
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -2110.962471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.962471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.509478 (E_RNA)
where:
Base-Base interactions energy: -1441.948
where: short stacking energy: -607.266
Base-Backbone interact. energy: 2.818
local terms energy: -676.379855
where:
bonds (distance) C4'-P energy: -138.558
bonds (distance) P-C4' energy: -136.851
flat angles C4'-P-C4' energy: -148.579
flat angles P-C4'-P energy: -91.174
tors. eta vs tors. theta energy: -161.218
Dist. restrs. and SS energy: 4.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -2000.998002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.998002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.275342 (E_RNA)
where:
Base-Base interactions energy: -1368.217
where: short stacking energy: -570.969
Base-Backbone interact. energy: -0.847
local terms energy: -634.211029
where:
bonds (distance) C4'-P energy: -122.800
bonds (distance) P-C4' energy: -124.218
flat angles C4'-P-C4' energy: -138.967
flat angles P-C4'-P energy: -105.466
tors. eta vs tors. theta energy: -142.761
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: 9, replica: 3
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -1880.294210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.294210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.434711 (E_RNA)
where:
Base-Base interactions energy: -1274.915
where: short stacking energy: -531.756
Base-Backbone interact. energy: 0.511
local terms energy: -611.031334
where:
bonds (distance) C4'-P energy: -133.508
bonds (distance) P-C4' energy: -122.741
flat angles C4'-P-C4' energy: -138.317
flat angles P-C4'-P energy: -85.071
tors. eta vs tors. theta energy: -131.395
Dist. restrs. and SS energy: 5.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -1870.086162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.086162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.909295 (E_RNA)
where:
Base-Base interactions energy: -1270.288
where: short stacking energy: -533.110
Base-Backbone interact. energy: 1.894
local terms energy: -606.515349
where:
bonds (distance) C4'-P energy: -128.007
bonds (distance) P-C4' energy: -126.522
flat angles C4'-P-C4' energy: -134.597
flat angles P-C4'-P energy: -86.127
tors. eta vs tors. theta energy: -131.262
Dist. restrs. and SS energy: 4.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -2825.495249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.495249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.370259 (E_RNA)
where:
Base-Base interactions energy: -1935.564
where: short stacking energy: -837.100
Base-Backbone interact. energy: -0.441
local terms energy: -891.365237
where:
bonds (distance) C4'-P energy: -176.107
bonds (distance) P-C4' energy: -167.888
flat angles C4'-P-C4' energy: -182.888
flat angles P-C4'-P energy: -117.011
tors. eta vs tors. theta energy: -247.470
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: 2, replica: 2
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -2667.739545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.739545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.517887 (E_RNA)
where:
Base-Base interactions energy: -1824.029
where: short stacking energy: -791.441
Base-Backbone interact. energy: -4.751
local terms energy: -840.738633
where:
bonds (distance) C4'-P energy: -142.764
bonds (distance) P-C4' energy: -150.330
flat angles C4'-P-C4' energy: -185.774
flat angles P-C4'-P energy: -130.415
tors. eta vs tors. theta energy: -231.455
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: 3, replica: 7
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -2552.027150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.027150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.783862 (E_RNA)
where:
Base-Base interactions energy: -1749.003
where: short stacking energy: -746.031
Base-Backbone interact. energy: -2.435
local terms energy: -802.344891
where:
bonds (distance) C4'-P energy: -150.687
bonds (distance) P-C4' energy: -141.616
flat angles C4'-P-C4' energy: -187.304
flat angles P-C4'-P energy: -116.678
tors. eta vs tors. theta energy: -206.060
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: 4, replica: 4
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -2432.661072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.661072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.745905 (E_RNA)
where:
Base-Base interactions energy: -1649.405
where: short stacking energy: -729.197
Base-Backbone interact. energy: 0.774
local terms energy: -786.115755
where:
bonds (distance) C4'-P energy: -141.480
bonds (distance) P-C4' energy: -145.011
flat angles C4'-P-C4' energy: -171.767
flat angles P-C4'-P energy: -120.096
tors. eta vs tors. theta energy: -207.762
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: 5, replica: 6
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -2284.976428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.976428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.836032 (E_RNA)
where:
Base-Base interactions energy: -1516.336
where: short stacking energy: -672.078
Base-Backbone interact. energy: -1.817
local terms energy: -769.683186
where:
bonds (distance) C4'-P energy: -152.284
bonds (distance) P-C4' energy: -150.623
flat angles C4'-P-C4' energy: -164.068
flat angles P-C4'-P energy: -113.516
tors. eta vs tors. theta energy: -189.190
Dist. restrs. and SS energy: 2.860 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -2145.864339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.864339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.012523 (E_RNA)
where:
Base-Base interactions energy: -1447.329
where: short stacking energy: -611.816
Base-Backbone interact. energy: -2.667
local terms energy: -698.016378
where:
bonds (distance) C4'-P energy: -146.522
bonds (distance) P-C4' energy: -149.119
flat angles C4'-P-C4' energy: -142.057
flat angles P-C4'-P energy: -96.195
tors. eta vs tors. theta energy: -164.124
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: 5
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -2120.476441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.476441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.191427 (E_RNA)
where:
Base-Base interactions energy: -1449.444
where: short stacking energy: -628.379
Base-Backbone interact. energy: -2.721
local terms energy: -671.025466
where:
bonds (distance) C4'-P energy: -142.056
bonds (distance) P-C4' energy: -122.637
flat angles C4'-P-C4' energy: -156.826
flat angles P-C4'-P energy: -86.418
tors. eta vs tors. theta energy: -163.089
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: 8, replica: 10
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -2000.120939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.120939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.510327 (E_RNA)
where:
Base-Base interactions energy: -1353.512
where: short stacking energy: -595.984
Base-Backbone interact. energy: 4.785
local terms energy: -653.782999
where:
bonds (distance) C4'-P energy: -128.671
bonds (distance) P-C4' energy: -147.058
flat angles C4'-P-C4' energy: -133.995
flat angles P-C4'-P energy: -96.466
tors. eta vs tors. theta energy: -147.593
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: 9, replica: 3
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -1868.239884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.239884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.879760 (E_RNA)
where:
Base-Base interactions energy: -1232.301
where: short stacking energy: -536.239
Base-Backbone interact. energy: -3.096
local terms energy: -641.483402
where:
bonds (distance) C4'-P energy: -130.644
bonds (distance) P-C4' energy: -139.624
flat angles C4'-P-C4' energy: -135.427
flat angles P-C4'-P energy: -94.088
tors. eta vs tors. theta energy: -141.701
Dist. restrs. and SS energy: 8.640 (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: 8
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -1923.707668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.707668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.080280 (E_RNA)
where:
Base-Base interactions energy: -1335.732
where: short stacking energy: -569.334
Base-Backbone interact. energy: 1.654
local terms energy: -592.001461
where:
bonds (distance) C4'-P energy: -103.788
bonds (distance) P-C4' energy: -116.330
flat angles C4'-P-C4' energy: -133.038
flat angles P-C4'-P energy: -84.316
tors. eta vs tors. theta energy: -154.530
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: 1, replica: 9
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -2837.303890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2837.303890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2839.576208 (E_RNA)
where:
Base-Base interactions energy: -1940.404
where: short stacking energy: -847.131
Base-Backbone interact. energy: -3.657
local terms energy: -895.515187
where:
bonds (distance) C4'-P energy: -164.544
bonds (distance) P-C4' energy: -159.372
flat angles C4'-P-C4' energy: -189.616
flat angles P-C4'-P energy: -121.721
tors. eta vs tors. theta energy: -260.262
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: 2, replica: 2
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -2665.232679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.232679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.190079 (E_RNA)
where:
Base-Base interactions energy: -1844.106
where: short stacking energy: -790.092
Base-Backbone interact. energy: -1.655
local terms energy: -820.428757
where:
bonds (distance) C4'-P energy: -161.581
bonds (distance) P-C4' energy: -161.786
flat angles C4'-P-C4' energy: -167.256
flat angles P-C4'-P energy: -113.675
tors. eta vs tors. theta energy: -216.131
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: 3, replica: 7
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -2575.168436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.168436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.238132 (E_RNA)
where:
Base-Base interactions energy: -1732.010
where: short stacking energy: -743.810
Base-Backbone interact. energy: -2.434
local terms energy: -841.794196
where:
bonds (distance) C4'-P energy: -140.776
bonds (distance) P-C4' energy: -172.691
flat angles C4'-P-C4' energy: -180.500
flat angles P-C4'-P energy: -126.463
tors. eta vs tors. theta energy: -221.365
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: 4, replica: 4
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -2411.956318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.956318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.999937 (E_RNA)
where:
Base-Base interactions energy: -1636.746
where: short stacking energy: -696.898
Base-Backbone interact. energy: -2.203
local terms energy: -775.051064
where:
bonds (distance) C4'-P energy: -145.580
bonds (distance) P-C4' energy: -166.190
flat angles C4'-P-C4' energy: -152.074
flat angles P-C4'-P energy: -116.275
tors. eta vs tors. theta energy: -194.933
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: 5, replica: 6
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -2314.920811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.920811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.099425 (E_RNA)
where:
Base-Base interactions energy: -1556.424
where: short stacking energy: -691.789
Base-Backbone interact. energy: -5.155
local terms energy: -755.520452
where:
bonds (distance) C4'-P energy: -149.805
bonds (distance) P-C4' energy: -142.868
flat angles C4'-P-C4' energy: -169.745
flat angles P-C4'-P energy: -94.335
tors. eta vs tors. theta energy: -198.768
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: 1
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -2181.866595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.866595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.378849 (E_RNA)
where:
Base-Base interactions energy: -1449.179
where: short stacking energy: -632.189
Base-Backbone interact. energy: -2.085
local terms energy: -734.114493
where:
bonds (distance) C4'-P energy: -146.032
bonds (distance) P-C4' energy: -155.988
flat angles C4'-P-C4' energy: -154.572
flat angles P-C4'-P energy: -104.336
tors. eta vs tors. theta energy: -173.186
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: 5
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -2157.485388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.485388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.376991 (E_RNA)
where:
Base-Base interactions energy: -1428.222
where: short stacking energy: -630.502
Base-Backbone interact. energy: 0.173
local terms energy: -732.328313
where:
bonds (distance) C4'-P energy: -151.084
bonds (distance) P-C4' energy: -157.274
flat angles C4'-P-C4' energy: -142.159
flat angles P-C4'-P energy: -115.230
tors. eta vs tors. theta energy: -166.582
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: 8, replica: 10
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -2029.874950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.874950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.414886 (E_RNA)
where:
Base-Base interactions energy: -1387.865
where: short stacking energy: -597.639
Base-Backbone interact. energy: -2.071
local terms energy: -642.478672
where:
bonds (distance) C4'-P energy: -125.275
bonds (distance) P-C4' energy: -123.321
flat angles C4'-P-C4' energy: -140.465
flat angles P-C4'-P energy: -94.000
tors. eta vs tors. theta energy: -159.418
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: 3
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -1873.212297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.212297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.977465 (E_RNA)
where:
Base-Base interactions energy: -1243.332
where: short stacking energy: -506.004
Base-Backbone interact. energy: 0.501
local terms energy: -643.146822
where:
bonds (distance) C4'-P energy: -149.286
bonds (distance) P-C4' energy: -136.423
flat angles C4'-P-C4' energy: -136.001
flat angles P-C4'-P energy: -91.809
tors. eta vs tors. theta energy: -129.627
Dist. restrs. and SS energy: 12.765 (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: 8
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -1863.513854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.513854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.856538 (E_RNA)
where:
Base-Base interactions energy: -1294.998
where: short stacking energy: -527.093
Base-Backbone interact. energy: 2.921
local terms energy: -574.779787
where:
bonds (distance) C4'-P energy: -146.255
bonds (distance) P-C4' energy: -73.682
flat angles C4'-P-C4' energy: -139.527
flat angles P-C4'-P energy: -74.362
tors. eta vs tors. theta energy: -140.954
Dist. restrs. and SS energy: 3.343 (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: 105
Temperature: 0.900000
Total energy: -2806.333923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.333923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.790259 (E_RNA)
where:
Base-Base interactions energy: -1931.849
where: short stacking energy: -854.908
Base-Backbone interact. energy: -2.410
local terms energy: -874.530601
where:
bonds (distance) C4'-P energy: -150.402
bonds (distance) P-C4' energy: -156.965
flat angles C4'-P-C4' energy: -193.441
flat angles P-C4'-P energy: -121.697
tors. eta vs tors. theta energy: -252.026
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: 2
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -2681.996211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.996211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.503129 (E_RNA)
where:
Base-Base interactions energy: -1823.988
where: short stacking energy: -789.912
Base-Backbone interact. energy: -2.384
local terms energy: -857.131121
where:
bonds (distance) C4'-P energy: -159.585
bonds (distance) P-C4' energy: -159.906
flat angles C4'-P-C4' energy: -181.458
flat angles P-C4'-P energy: -123.957
tors. eta vs tors. theta energy: -232.225
Dist. restrs. and SS energy: 1.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -2524.372981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.372981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.547595 (E_RNA)
where:
Base-Base interactions energy: -1740.576
where: short stacking energy: -740.982
Base-Backbone interact. energy: 0.144
local terms energy: -786.115587
where:
bonds (distance) C4'-P energy: -131.843
bonds (distance) P-C4' energy: -167.571
flat angles C4'-P-C4' energy: -157.798
flat angles P-C4'-P energy: -122.967
tors. eta vs tors. theta energy: -205.937
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: 4
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -2431.482311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.482311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.840561 (E_RNA)
where:
Base-Base interactions energy: -1663.991
where: short stacking energy: -707.544
Base-Backbone interact. energy: 2.628
local terms energy: -772.477580
where:
bonds (distance) C4'-P energy: -137.335
bonds (distance) P-C4' energy: -159.924
flat angles C4'-P-C4' energy: -170.795
flat angles P-C4'-P energy: -110.873
tors. eta vs tors. theta energy: -193.551
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: 5, replica: 6
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -2280.858571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.858571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.637980 (E_RNA)
where:
Base-Base interactions energy: -1538.224
where: short stacking energy: -681.717
Base-Backbone interact. energy: -0.756
local terms energy: -744.657836
where:
bonds (distance) C4'-P energy: -139.155
bonds (distance) P-C4' energy: -148.137
flat angles C4'-P-C4' energy: -156.054
flat angles P-C4'-P energy: -114.657
tors. eta vs tors. theta energy: -186.654
Dist. restrs. and SS energy: 2.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -2220.049116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.049116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.572616 (E_RNA)
where:
Base-Base interactions energy: -1496.349
where: short stacking energy: -631.884
Base-Backbone interact. energy: 2.711
local terms energy: -728.934373
where:
bonds (distance) C4'-P energy: -140.317
bonds (distance) P-C4' energy: -144.055
flat angles C4'-P-C4' energy: -153.621
flat angles P-C4'-P energy: -115.153
tors. eta vs tors. theta energy: -175.788
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: 7, replica: 5
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -2125.683554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.683554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.557953 (E_RNA)
where:
Base-Base interactions energy: -1438.950
where: short stacking energy: -624.328
Base-Backbone interact. energy: 7.065
local terms energy: -696.673086
where:
bonds (distance) C4'-P energy: -136.366
bonds (distance) P-C4' energy: -125.310
flat angles C4'-P-C4' energy: -157.349
flat angles P-C4'-P energy: -110.688
tors. eta vs tors. theta energy: -166.961
Dist. restrs. and SS energy: 2.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -2014.380456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.380456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.974641 (E_RNA)
where:
Base-Base interactions energy: -1405.693
where: short stacking energy: -584.544
Base-Backbone interact. energy: 0.944
local terms energy: -612.225104
where:
bonds (distance) C4'-P energy: -89.540
bonds (distance) P-C4' energy: -145.622
flat angles C4'-P-C4' energy: -139.379
flat angles P-C4'-P energy: -78.874
tors. eta vs tors. theta energy: -158.811
Dist. restrs. and SS energy: 2.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -1887.727991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.727991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.588766 (E_RNA)
where:
Base-Base interactions energy: -1256.246
where: short stacking energy: -537.866
Base-Backbone interact. energy: -4.201
local terms energy: -634.140895
where:
bonds (distance) C4'-P energy: -118.811
bonds (distance) P-C4' energy: -144.899
flat angles C4'-P-C4' energy: -154.667
flat angles P-C4'-P energy: -82.957
tors. eta vs tors. theta energy: -132.807
Dist. restrs. and SS energy: 6.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -1871.576146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.576146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.684744 (E_RNA)
where:
Base-Base interactions energy: -1291.653
where: short stacking energy: -507.092
Base-Backbone interact. energy: -2.968
local terms energy: -581.063411
where:
bonds (distance) C4'-P energy: -118.114
bonds (distance) P-C4' energy: -113.349
flat angles C4'-P-C4' energy: -144.775
flat angles P-C4'-P energy: -91.891
tors. eta vs tors. theta energy: -112.935
Dist. restrs. and SS energy: 4.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -2817.570970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.570970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.841002 (E_RNA)
where:
Base-Base interactions energy: -1916.813
where: short stacking energy: -858.400
Base-Backbone interact. energy: 1.860
local terms energy: -904.888175
where:
bonds (distance) C4'-P energy: -163.162
bonds (distance) P-C4' energy: -163.976
flat angles C4'-P-C4' energy: -190.086
flat angles P-C4'-P energy: -133.393
tors. eta vs tors. theta energy: -254.271
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: 2, replica: 2
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -2646.501443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.501443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.342704 (E_RNA)
where:
Base-Base interactions energy: -1800.319
where: short stacking energy: -799.828
Base-Backbone interact. energy: -0.780
local terms energy: -847.244095
where:
bonds (distance) C4'-P energy: -159.258
bonds (distance) P-C4' energy: -145.163
flat angles C4'-P-C4' energy: -176.122
flat angles P-C4'-P energy: -129.510
tors. eta vs tors. theta energy: -237.192
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: 3, replica: 7
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -2535.883955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.883955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.023269 (E_RNA)
where:
Base-Base interactions energy: -1720.318
where: short stacking energy: -730.540
Base-Backbone interact. energy: -1.781
local terms energy: -815.923577
where:
bonds (distance) C4'-P energy: -153.889
bonds (distance) P-C4' energy: -163.399
flat angles C4'-P-C4' energy: -177.483
flat angles P-C4'-P energy: -111.391
tors. eta vs tors. theta energy: -209.762
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: 4, replica: 4
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -2380.441175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.441175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.234226 (E_RNA)
where:
Base-Base interactions energy: -1638.943
where: short stacking energy: -703.586
Base-Backbone interact. energy: 1.121
local terms energy: -743.411663
where:
bonds (distance) C4'-P energy: -131.734
bonds (distance) P-C4' energy: -153.267
flat angles C4'-P-C4' energy: -160.929
flat angles P-C4'-P energy: -106.476
tors. eta vs tors. theta energy: -191.006
Dist. restrs. and SS energy: 0.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -2279.857879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.857879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.533059 (E_RNA)
where:
Base-Base interactions energy: -1536.669
where: short stacking energy: -671.178
Base-Backbone interact. energy: 2.633
local terms energy: -749.497149
where:
bonds (distance) C4'-P energy: -141.875
bonds (distance) P-C4' energy: -147.919
flat angles C4'-P-C4' energy: -162.784
flat angles P-C4'-P energy: -118.676
tors. eta vs tors. theta energy: -178.243
Dist. restrs. and SS energy: 3.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -2187.167648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.167648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.420557 (E_RNA)
where:
Base-Base interactions energy: -1500.992
where: short stacking energy: -633.554
Base-Backbone interact. energy: -1.219
local terms energy: -688.209561
where:
bonds (distance) C4'-P energy: -145.393
bonds (distance) P-C4' energy: -139.985
flat angles C4'-P-C4' energy: -135.246
flat angles P-C4'-P energy: -85.367
tors. eta vs tors. theta energy: -182.218
Dist. restrs. and SS energy: 3.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -2074.150561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.150561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.101036 (E_RNA)
where:
Base-Base interactions energy: -1408.993
where: short stacking energy: -604.364
Base-Backbone interact. energy: -2.732
local terms energy: -664.375933
where:
bonds (distance) C4'-P energy: -123.132
bonds (distance) P-C4' energy: -133.227
flat angles C4'-P-C4' energy: -143.531
flat angles P-C4'-P energy: -103.823
tors. eta vs tors. theta energy: -160.663
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: 8, replica: 5
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -2013.097800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.097800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.668922 (E_RNA)
where:
Base-Base interactions energy: -1352.732
where: short stacking energy: -583.119
Base-Backbone interact. energy: 5.693
local terms energy: -668.629697
where:
bonds (distance) C4'-P energy: -142.809
bonds (distance) P-C4' energy: -147.310
flat angles C4'-P-C4' energy: -142.968
flat angles P-C4'-P energy: -88.327
tors. eta vs tors. theta energy: -147.216
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: 9, replica: 8
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -1917.227616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.227616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.320098 (E_RNA)
where:
Base-Base interactions energy: -1272.640
where: short stacking energy: -541.630
Base-Backbone interact. energy: -1.216
local terms energy: -648.463668
where:
bonds (distance) C4'-P energy: -125.317
bonds (distance) P-C4' energy: -134.996
flat angles C4'-P-C4' energy: -152.972
flat angles P-C4'-P energy: -91.346
tors. eta vs tors. theta energy: -143.832
Dist. restrs. and SS energy: 5.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -1877.912694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.912694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.753291 (E_RNA)
where:
Base-Base interactions energy: -1283.948
where: short stacking energy: -514.521
Base-Backbone interact. energy: 0.947
local terms energy: -596.752434
where:
bonds (distance) C4'-P energy: -127.648
bonds (distance) P-C4' energy: -123.034
flat angles C4'-P-C4' energy: -147.021
flat angles P-C4'-P energy: -84.229
tors. eta vs tors. theta energy: -114.821
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: 1, replica: 9
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -2810.501086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.501086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.598011 (E_RNA)
where:
Base-Base interactions energy: -1931.478
where: short stacking energy: -835.457
Base-Backbone interact. energy: -4.004
local terms energy: -876.116321
where:
bonds (distance) C4'-P energy: -156.400
bonds (distance) P-C4' energy: -159.260
flat angles C4'-P-C4' energy: -187.133
flat angles P-C4'-P energy: -122.364
tors. eta vs tors. theta energy: -250.959
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: 2, replica: 2
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -2661.750267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.750267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.846845 (E_RNA)
where:
Base-Base interactions energy: -1837.203
where: short stacking energy: -769.258
Base-Backbone interact. energy: -0.741
local terms energy: -825.902961
where:
bonds (distance) C4'-P energy: -150.031
bonds (distance) P-C4' energy: -161.154
flat angles C4'-P-C4' energy: -183.033
flat angles P-C4'-P energy: -109.125
tors. eta vs tors. theta energy: -222.560
Dist. restrs. and SS energy: 2.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -2517.874829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.874829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.664361 (E_RNA)
where:
Base-Base interactions energy: -1730.470
where: short stacking energy: -727.544
Base-Backbone interact. energy: -1.695
local terms energy: -787.500278
where:
bonds (distance) C4'-P energy: -151.281
bonds (distance) P-C4' energy: -151.364
flat angles C4'-P-C4' energy: -171.096
flat angles P-C4'-P energy: -108.542
tors. eta vs tors. theta energy: -205.217
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: 4, replica: 4
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -2449.866190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.866190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.236193 (E_RNA)
where:
Base-Base interactions energy: -1645.839
where: short stacking energy: -710.495
Base-Backbone interact. energy: 1.004
local terms energy: -806.400403
where:
bonds (distance) C4'-P energy: -163.575
bonds (distance) P-C4' energy: -149.356
flat angles C4'-P-C4' energy: -179.622
flat angles P-C4'-P energy: -111.371
tors. eta vs tors. theta energy: -202.476
Dist. restrs. and SS energy: 1.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -2267.623832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.623832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.700830 (E_RNA)
where:
Base-Base interactions energy: -1531.849
where: short stacking energy: -663.750
Base-Backbone interact. energy: -1.649
local terms energy: -736.203066
where:
bonds (distance) C4'-P energy: -134.315
bonds (distance) P-C4' energy: -140.407
flat angles C4'-P-C4' energy: -166.754
flat angles P-C4'-P energy: -103.812
tors. eta vs tors. theta energy: -190.915
Dist. restrs. and SS energy: 2.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -2204.124405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.124405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.155805 (E_RNA)
where:
Base-Base interactions energy: -1488.603
where: short stacking energy: -653.386
Base-Backbone interact. energy: -1.728
local terms energy: -716.824882
where:
bonds (distance) C4'-P energy: -150.117
bonds (distance) P-C4' energy: -136.129
flat angles C4'-P-C4' energy: -145.144
flat angles P-C4'-P energy: -104.116
tors. eta vs tors. theta energy: -181.319
Dist. restrs. and SS energy: 3.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -2055.562610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.562610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.503482 (E_RNA)
where:
Base-Base interactions energy: -1392.257
where: short stacking energy: -584.755
Base-Backbone interact. energy: -0.494
local terms energy: -665.752962
where:
bonds (distance) C4'-P energy: -118.721
bonds (distance) P-C4' energy: -142.564
flat angles C4'-P-C4' energy: -159.080
flat angles P-C4'-P energy: -95.330
tors. eta vs tors. theta energy: -150.058
Dist. restrs. and SS energy: 2.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -2009.852794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.852794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.337072 (E_RNA)
where:
Base-Base interactions energy: -1342.501
where: short stacking energy: -582.411
Base-Backbone interact. energy: -3.643
local terms energy: -667.193185
where:
bonds (distance) C4'-P energy: -124.997
bonds (distance) P-C4' energy: -158.363
flat angles C4'-P-C4' energy: -144.891
flat angles P-C4'-P energy: -78.231
tors. eta vs tors. theta energy: -160.711
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: 9, replica: 8
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -1937.103207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.103207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.498408 (E_RNA)
where:
Base-Base interactions energy: -1303.160
where: short stacking energy: -528.281
Base-Backbone interact. energy: -3.368
local terms energy: -633.970908
where:
bonds (distance) C4'-P energy: -142.571
bonds (distance) P-C4' energy: -115.946
flat angles C4'-P-C4' energy: -142.997
flat angles P-C4'-P energy: -101.207
tors. eta vs tors. theta energy: -131.250
Dist. restrs. and SS energy: 3.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -1839.383887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.383887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.613614 (E_RNA)
where:
Base-Base interactions energy: -1251.703
where: short stacking energy: -493.936
Base-Backbone interact. energy: 8.087
local terms energy: -598.997507
where:
bonds (distance) C4'-P energy: -121.996
bonds (distance) P-C4' energy: -130.732
flat angles C4'-P-C4' energy: -145.733
flat angles P-C4'-P energy: -83.109
tors. eta vs tors. theta energy: -117.428
Dist. restrs. and SS energy: 3.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -2852.088357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2852.088357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2853.469300 (E_RNA)
where:
Base-Base interactions energy: -1919.498
where: short stacking energy: -852.987
Base-Backbone interact. energy: -3.650
local terms energy: -930.321481
where:
bonds (distance) C4'-P energy: -168.227
bonds (distance) P-C4' energy: -178.553
flat angles C4'-P-C4' energy: -194.992
flat angles P-C4'-P energy: -123.610
tors. eta vs tors. theta energy: -264.939
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: 2, replica: 2
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -2681.930203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.930203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.133052 (E_RNA)
where:
Base-Base interactions energy: -1844.483
where: short stacking energy: -782.329
Base-Backbone interact. energy: 1.023
local terms energy: -839.672282
where:
bonds (distance) C4'-P energy: -149.438
bonds (distance) P-C4' energy: -162.123
flat angles C4'-P-C4' energy: -179.556
flat angles P-C4'-P energy: -115.013
tors. eta vs tors. theta energy: -233.542
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: 3, replica: 4
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -2506.642525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.642525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.481477 (E_RNA)
where:
Base-Base interactions energy: -1691.635
where: short stacking energy: -723.729
Base-Backbone interact. energy: -5.709
local terms energy: -811.137836
where:
bonds (distance) C4'-P energy: -158.256
bonds (distance) P-C4' energy: -157.431
flat angles C4'-P-C4' energy: -174.954
flat angles P-C4'-P energy: -103.322
tors. eta vs tors. theta energy: -217.175
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: 4, replica: 7
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -2451.484490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.484490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.169351 (E_RNA)
where:
Base-Base interactions energy: -1688.591
where: short stacking energy: -697.795
Base-Backbone interact. energy: 0.683
local terms energy: -764.261389
where:
bonds (distance) C4'-P energy: -147.250
bonds (distance) P-C4' energy: -152.140
flat angles C4'-P-C4' energy: -159.600
flat angles P-C4'-P energy: -102.303
tors. eta vs tors. theta energy: -202.969
Dist. restrs. and SS energy: 0.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -2299.892733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.892733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.126521 (E_RNA)
where:
Base-Base interactions energy: -1564.825
where: short stacking energy: -662.847
Base-Backbone interact. energy: -1.859
local terms energy: -735.443358
where:
bonds (distance) C4'-P energy: -139.806
bonds (distance) P-C4' energy: -148.235
flat angles C4'-P-C4' energy: -162.773
flat angles P-C4'-P energy: -89.494
tors. eta vs tors. theta energy: -195.135
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: 6, replica: 6
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -2232.000155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.000155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.527891 (E_RNA)
where:
Base-Base interactions energy: -1480.002
where: short stacking energy: -654.785
Base-Backbone interact. energy: -0.876
local terms energy: -753.650076
where:
bonds (distance) C4'-P energy: -158.808
bonds (distance) P-C4' energy: -154.455
flat angles C4'-P-C4' energy: -147.557
flat angles P-C4'-P energy: -109.612
tors. eta vs tors. theta energy: -183.218
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: 7, replica: 10
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -2053.803498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.803498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.737842 (E_RNA)
where:
Base-Base interactions energy: -1386.162
where: short stacking energy: -579.563
Base-Backbone interact. energy: 4.572
local terms energy: -674.147851
where:
bonds (distance) C4'-P energy: -132.365
bonds (distance) P-C4' energy: -138.272
flat angles C4'-P-C4' energy: -147.331
flat angles P-C4'-P energy: -99.259
tors. eta vs tors. theta energy: -156.922
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: 8, replica: 5
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -2084.267175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.267175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.725632 (E_RNA)
where:
Base-Base interactions energy: -1428.843
where: short stacking energy: -615.830
Base-Backbone interact. energy: 0.753
local terms energy: -657.636221
where:
bonds (distance) C4'-P energy: -136.748
bonds (distance) P-C4' energy: -133.077
flat angles C4'-P-C4' energy: -137.515
flat angles P-C4'-P energy: -78.781
tors. eta vs tors. theta energy: -171.515
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: 8
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -1939.870640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.870640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.359156 (E_RNA)
where:
Base-Base interactions energy: -1311.087
where: short stacking energy: -550.849
Base-Backbone interact. energy: -2.095
local terms energy: -629.176456
where:
bonds (distance) C4'-P energy: -119.128
bonds (distance) P-C4' energy: -146.643
flat angles C4'-P-C4' energy: -147.521
flat angles P-C4'-P energy: -81.733
tors. eta vs tors. theta energy: -134.151
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: 10, replica: 3
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -1839.224414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.224414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.288148 (E_RNA)
where:
Base-Base interactions energy: -1222.660
where: short stacking energy: -495.905
Base-Backbone interact. energy: -3.831
local terms energy: -615.797326
where:
bonds (distance) C4'-P energy: -91.500
bonds (distance) P-C4' energy: -147.848
flat angles C4'-P-C4' energy: -139.740
flat angles P-C4'-P energy: -104.410
tors. eta vs tors. theta energy: -132.299
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: 1, replica: 9
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -2808.249215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.249215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.682338 (E_RNA)
where:
Base-Base interactions energy: -1899.959
where: short stacking energy: -809.978
Base-Backbone interact. energy: -1.062
local terms energy: -908.660823
where:
bonds (distance) C4'-P energy: -166.388
bonds (distance) P-C4' energy: -171.834
flat angles C4'-P-C4' energy: -192.917
flat angles P-C4'-P energy: -129.035
tors. eta vs tors. theta energy: -248.487
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: 2, replica: 2
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -2651.597346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.597346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.139297 (E_RNA)
where:
Base-Base interactions energy: -1813.668
where: short stacking energy: -781.241
Base-Backbone interact. energy: -6.009
local terms energy: -833.462975
where:
bonds (distance) C4'-P energy: -174.682
bonds (distance) P-C4' energy: -155.016
flat angles C4'-P-C4' energy: -173.887
flat angles P-C4'-P energy: -102.849
tors. eta vs tors. theta energy: -227.030
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: 4
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -2534.426391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.426391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.290388 (E_RNA)
where:
Base-Base interactions energy: -1719.870
where: short stacking energy: -751.873
Base-Backbone interact. energy: -2.542
local terms energy: -813.878024
where:
bonds (distance) C4'-P energy: -155.367
bonds (distance) P-C4' energy: -155.740
flat angles C4'-P-C4' energy: -182.828
flat angles P-C4'-P energy: -106.886
tors. eta vs tors. theta energy: -213.057
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: 4, replica: 7
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -2457.473940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.473940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.762930 (E_RNA)
where:
Base-Base interactions energy: -1676.133
where: short stacking energy: -720.614
Base-Backbone interact. energy: -1.527
local terms energy: -781.103348
where:
bonds (distance) C4'-P energy: -150.718
bonds (distance) P-C4' energy: -154.916
flat angles C4'-P-C4' energy: -164.222
flat angles P-C4'-P energy: -106.797
tors. eta vs tors. theta energy: -204.450
Dist. restrs. and SS energy: 1.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -2301.825517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.825517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.782461 (E_RNA)
where:
Base-Base interactions energy: -1557.243
where: short stacking energy: -682.964
Base-Backbone interact. energy: -1.864
local terms energy: -744.675740
where:
bonds (distance) C4'-P energy: -151.645
bonds (distance) P-C4' energy: -148.510
flat angles C4'-P-C4' energy: -160.532
flat angles P-C4'-P energy: -93.284
tors. eta vs tors. theta energy: -190.706
Dist. restrs. and SS energy: 1.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -2220.732641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.732641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.374234 (E_RNA)
where:
Base-Base interactions energy: -1504.191
where: short stacking energy: -654.866
Base-Backbone interact. energy: -1.477
local terms energy: -717.706291
where:
bonds (distance) C4'-P energy: -129.870
bonds (distance) P-C4' energy: -139.079
flat angles C4'-P-C4' energy: -158.237
flat angles P-C4'-P energy: -102.062
tors. eta vs tors. theta energy: -188.458
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: 7, replica: 10
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -2074.767342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.767342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.064370 (E_RNA)
where:
Base-Base interactions energy: -1407.930
where: short stacking energy: -594.267
Base-Backbone interact. energy: 3.422
local terms energy: -671.556694
where:
bonds (distance) C4'-P energy: -134.475
bonds (distance) P-C4' energy: -141.872
flat angles C4'-P-C4' energy: -148.607
flat angles P-C4'-P energy: -97.937
tors. eta vs tors. theta energy: -148.666
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: 5
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -2060.225521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.225521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.684150 (E_RNA)
where:
Base-Base interactions energy: -1403.329
where: short stacking energy: -586.146
Base-Backbone interact. energy: -0.862
local terms energy: -660.493193
where:
bonds (distance) C4'-P energy: -135.202
bonds (distance) P-C4' energy: -133.112
flat angles C4'-P-C4' energy: -142.297
flat angles P-C4'-P energy: -81.294
tors. eta vs tors. theta energy: -168.589
Dist. restrs. and SS energy: 4.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -1952.678260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.678260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.725562 (E_RNA)
where:
Base-Base interactions energy: -1330.930
where: short stacking energy: -535.996
Base-Backbone interact. energy: -1.532
local terms energy: -622.263314
where:
bonds (distance) C4'-P energy: -118.530
bonds (distance) P-C4' energy: -142.037
flat angles C4'-P-C4' energy: -136.720
flat angles P-C4'-P energy: -96.168
tors. eta vs tors. theta energy: -128.808
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: 10, replica: 3
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -1835.722049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.722049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.270176 (E_RNA)
where:
Base-Base interactions energy: -1220.301
where: short stacking energy: -502.090
Base-Backbone interact. energy: -3.505
local terms energy: -614.463635
where:
bonds (distance) C4'-P energy: -138.905
bonds (distance) P-C4' energy: -125.483
flat angles C4'-P-C4' energy: -145.460
flat angles P-C4'-P energy: -87.667
tors. eta vs tors. theta energy: -116.948
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: 1, replica: 9
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -2803.511720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.511720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.022881 (E_RNA)
where:
Base-Base interactions energy: -1872.369
where: short stacking energy: -838.653
Base-Backbone interact. energy: -1.047
local terms energy: -931.606602
where:
bonds (distance) C4'-P energy: -174.472
bonds (distance) P-C4' energy: -173.529
flat angles C4'-P-C4' energy: -192.436
flat angles P-C4'-P energy: -138.430
tors. eta vs tors. theta energy: -252.740
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: 2
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -2672.700620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.700620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.026892 (E_RNA)
where:
Base-Base interactions energy: -1820.880
where: short stacking energy: -785.965
Base-Backbone interact. energy: -3.475
local terms energy: -849.671841
where:
bonds (distance) C4'-P energy: -152.219
bonds (distance) P-C4' energy: -179.200
flat angles C4'-P-C4' energy: -177.444
flat angles P-C4'-P energy: -102.098
tors. eta vs tors. theta energy: -238.712
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: 3, replica: 4
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -2518.275475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.275475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.302126 (E_RNA)
where:
Base-Base interactions energy: -1695.024
where: short stacking energy: -750.390
Base-Backbone interact. energy: -1.053
local terms energy: -824.224204
where:
bonds (distance) C4'-P energy: -163.148
bonds (distance) P-C4' energy: -160.896
flat angles C4'-P-C4' energy: -186.283
flat angles P-C4'-P energy: -100.101
tors. eta vs tors. theta energy: -213.797
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: 4, replica: 7
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -2467.157895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.157895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.993611 (E_RNA)
where:
Base-Base interactions energy: -1690.584
where: short stacking energy: -705.014
Base-Backbone interact. energy: -1.405
local terms energy: -777.005153
where:
bonds (distance) C4'-P energy: -136.563
bonds (distance) P-C4' energy: -169.464
flat angles C4'-P-C4' energy: -166.626
flat angles P-C4'-P energy: -106.439
tors. eta vs tors. theta energy: -197.912
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: 5, replica: 1
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -2309.990890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.990890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.481172 (E_RNA)
where:
Base-Base interactions energy: -1564.439
where: short stacking energy: -713.416
Base-Backbone interact. energy: 4.349
local terms energy: -751.391460
where:
bonds (distance) C4'-P energy: -145.860
bonds (distance) P-C4' energy: -141.432
flat angles C4'-P-C4' energy: -172.147
flat angles P-C4'-P energy: -91.328
tors. eta vs tors. theta energy: -200.625
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: 6
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -2185.816437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.816437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.922226 (E_RNA)
where:
Base-Base interactions energy: -1469.707
where: short stacking energy: -641.462
Base-Backbone interact. energy: 3.891
local terms energy: -723.106388
where:
bonds (distance) C4'-P energy: -138.656
bonds (distance) P-C4' energy: -143.080
flat angles C4'-P-C4' energy: -164.200
flat angles P-C4'-P energy: -94.135
tors. eta vs tors. theta energy: -183.037
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: 7, replica: 10
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -2053.829033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.829033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.849146 (E_RNA)
where:
Base-Base interactions energy: -1389.690
where: short stacking energy: -584.673
Base-Backbone interact. energy: 8.577
local terms energy: -674.736291
where:
bonds (distance) C4'-P energy: -137.312
bonds (distance) P-C4' energy: -131.292
flat angles C4'-P-C4' energy: -160.852
flat angles P-C4'-P energy: -100.292
tors. eta vs tors. theta energy: -144.988
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: 5
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -2012.732518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.732518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.142485 (E_RNA)
where:
Base-Base interactions energy: -1354.124
where: short stacking energy: -571.154
Base-Backbone interact. energy: -0.536
local terms energy: -661.483114
where:
bonds (distance) C4'-P energy: -149.676
bonds (distance) P-C4' energy: -136.970
flat angles C4'-P-C4' energy: -139.673
flat angles P-C4'-P energy: -87.604
tors. eta vs tors. theta energy: -147.560
Dist. restrs. and SS energy: 3.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -1947.188664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.188664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.343262 (E_RNA)
where:
Base-Base interactions energy: -1329.763
where: short stacking energy: -548.710
Base-Backbone interact. energy: -1.012
local terms energy: -618.568297
where:
bonds (distance) C4'-P energy: -129.007
bonds (distance) P-C4' energy: -134.962
flat angles C4'-P-C4' energy: -150.024
flat angles P-C4'-P energy: -58.788
tors. eta vs tors. theta energy: -145.788
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: 10, replica: 3
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -1863.178495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.178495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.341842 (E_RNA)
where:
Base-Base interactions energy: -1265.209
where: short stacking energy: -538.156
Base-Backbone interact. energy: -2.189
local terms energy: -601.943967
where:
bonds (distance) C4'-P energy: -103.947
bonds (distance) P-C4' energy: -138.117
flat angles C4'-P-C4' energy: -123.951
flat angles P-C4'-P energy: -92.995
tors. eta vs tors. theta energy: -142.933
Dist. restrs. and SS energy: 6.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -2818.870665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.870665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.012074 (E_RNA)
where:
Base-Base interactions energy: -1919.551
where: short stacking energy: -846.491
Base-Backbone interact. energy: -3.262
local terms energy: -898.198797
where:
bonds (distance) C4'-P energy: -154.939
bonds (distance) P-C4' energy: -160.867
flat angles C4'-P-C4' energy: -196.012
flat angles P-C4'-P energy: -137.843
tors. eta vs tors. theta energy: -248.538
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: 2, replica: 2
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -2643.948545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.948545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.882310 (E_RNA)
where:
Base-Base interactions energy: -1775.995
where: short stacking energy: -782.324
Base-Backbone interact. energy: -4.012
local terms energy: -865.874881
where:
bonds (distance) C4'-P energy: -159.127
bonds (distance) P-C4' energy: -166.627
flat angles C4'-P-C4' energy: -175.883
flat angles P-C4'-P energy: -132.094
tors. eta vs tors. theta energy: -232.144
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: 4
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -2507.686945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.686945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.866652 (E_RNA)
where:
Base-Base interactions energy: -1688.500
where: short stacking energy: -690.058
Base-Backbone interact. energy: 1.895
local terms energy: -822.261985
where:
bonds (distance) C4'-P energy: -148.394
bonds (distance) P-C4' energy: -168.876
flat angles C4'-P-C4' energy: -182.138
flat angles P-C4'-P energy: -114.284
tors. eta vs tors. theta energy: -208.571
Dist. restrs. and SS energy: 1.180 (S_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: 111
Temperature: 1.050000
Total energy: -2415.421035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.421035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.693628 (E_RNA)
where:
Base-Base interactions energy: -1668.687
where: short stacking energy: -713.778
Base-Backbone interact. energy: -0.536
local terms energy: -747.470181
where:
bonds (distance) C4'-P energy: -144.879
bonds (distance) P-C4' energy: -142.568
flat angles C4'-P-C4' energy: -166.100
flat angles P-C4'-P energy: -101.646
tors. eta vs tors. theta energy: -192.277
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: 5, replica: 1
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -2330.049636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.049636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.844334 (E_RNA)
where:
Base-Base interactions energy: -1555.361
where: short stacking energy: -704.706
Base-Backbone interact. energy: -4.665
local terms energy: -771.818272
where:
bonds (distance) C4'-P energy: -137.722
bonds (distance) P-C4' energy: -134.863
flat angles C4'-P-C4' energy: -173.541
flat angles P-C4'-P energy: -120.019
tors. eta vs tors. theta energy: -205.674
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: 6
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -2179.696148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.696148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.365850 (E_RNA)
where:
Base-Base interactions energy: -1467.920
where: short stacking energy: -642.185
Base-Backbone interact. energy: -1.797
local terms energy: -712.648470
where:
bonds (distance) C4'-P energy: -151.114
bonds (distance) P-C4' energy: -128.738
flat angles C4'-P-C4' energy: -162.714
flat angles P-C4'-P energy: -106.625
tors. eta vs tors. theta energy: -163.457
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: 7, replica: 10
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -2058.005056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.005056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.695259 (E_RNA)
where:
Base-Base interactions energy: -1402.944
where: short stacking energy: -604.062
Base-Backbone interact. energy: 5.459
local terms energy: -662.210167
where:
bonds (distance) C4'-P energy: -141.114
bonds (distance) P-C4' energy: -124.994
flat angles C4'-P-C4' energy: -143.445
flat angles P-C4'-P energy: -97.528
tors. eta vs tors. theta energy: -155.129
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: 8, replica: 5
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -2019.440582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.440582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.390453 (E_RNA)
where:
Base-Base interactions energy: -1366.743
where: short stacking energy: -569.781
Base-Backbone interact. energy: -2.319
local terms energy: -652.328459
where:
bonds (distance) C4'-P energy: -124.625
bonds (distance) P-C4' energy: -146.170
flat angles C4'-P-C4' energy: -149.780
flat angles P-C4'-P energy: -73.764
tors. eta vs tors. theta energy: -157.989
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: 8
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -1963.426846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.426846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.252218 (E_RNA)
where:
Base-Base interactions energy: -1307.487
where: short stacking energy: -552.857
Base-Backbone interact. energy: -1.826
local terms energy: -660.939580
where:
bonds (distance) C4'-P energy: -125.466
bonds (distance) P-C4' energy: -153.146
flat angles C4'-P-C4' energy: -156.263
flat angles P-C4'-P energy: -79.246
tors. eta vs tors. theta energy: -146.818
Dist. restrs. and SS energy: 6.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -1911.968911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.968911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.578464 (E_RNA)
where:
Base-Base interactions energy: -1314.187
where: short stacking energy: -543.182
Base-Backbone interact. energy: -0.883
local terms energy: -600.507565
where:
bonds (distance) C4'-P energy: -110.567
bonds (distance) P-C4' energy: -106.759
flat angles C4'-P-C4' energy: -165.503
flat angles P-C4'-P energy: -75.598
tors. eta vs tors. theta energy: -142.081
Dist. restrs. and SS energy: 3.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -2841.529978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2841.529978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2842.935055 (E_RNA)
where:
Base-Base interactions energy: -1957.894
where: short stacking energy: -853.105
Base-Backbone interact. energy: -2.185
local terms energy: -882.855950
where:
bonds (distance) C4'-P energy: -142.728
bonds (distance) P-C4' energy: -159.794
flat angles C4'-P-C4' energy: -194.500
flat angles P-C4'-P energy: -131.025
tors. eta vs tors. theta energy: -254.808
Dist. restrs. and SS energy: 1.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -2639.086974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.086974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.139047 (E_RNA)
where:
Base-Base interactions energy: -1804.797
where: short stacking energy: -784.632
Base-Backbone interact. energy: 4.588
local terms energy: -839.930381
where:
bonds (distance) C4'-P energy: -166.859
bonds (distance) P-C4' energy: -161.364
flat angles C4'-P-C4' energy: -167.175
flat angles P-C4'-P energy: -122.555
tors. eta vs tors. theta energy: -221.978
Dist. restrs. and SS energy: 1.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -2516.938703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.938703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.561247 (E_RNA)
where:
Base-Base interactions energy: -1697.165
where: short stacking energy: -722.097
Base-Backbone interact. energy: -1.607
local terms energy: -820.788567
where:
bonds (distance) C4'-P energy: -145.030
bonds (distance) P-C4' energy: -165.777
flat angles C4'-P-C4' energy: -176.286
flat angles P-C4'-P energy: -122.745
tors. eta vs tors. theta energy: -210.951
Dist. restrs. and SS energy: 2.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -2418.226691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.226691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.869681 (E_RNA)
where:
Base-Base interactions energy: -1640.591
where: short stacking energy: -706.280
Base-Backbone interact. energy: 2.517
local terms energy: -781.795753
where:
bonds (distance) C4'-P energy: -135.958
bonds (distance) P-C4' energy: -156.865
flat angles C4'-P-C4' energy: -184.384
flat angles P-C4'-P energy: -103.471
tors. eta vs tors. theta energy: -201.118
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: 112
Temperature: 1.100000
Total energy: -2315.910822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.910822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.639675 (E_RNA)
where:
Base-Base interactions energy: -1574.647
where: short stacking energy: -666.816
Base-Backbone interact. energy: -2.177
local terms energy: -740.815430
where:
bonds (distance) C4'-P energy: -120.551
bonds (distance) P-C4' energy: -162.355
flat angles C4'-P-C4' energy: -157.353
flat angles P-C4'-P energy: -107.140
tors. eta vs tors. theta energy: -193.416
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: 6
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -2232.248236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.248236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.330052 (E_RNA)
where:
Base-Base interactions energy: -1533.517
where: short stacking energy: -640.958
Base-Backbone interact. energy: -2.623
local terms energy: -698.190298
where:
bonds (distance) C4'-P energy: -129.283
bonds (distance) P-C4' energy: -139.744
flat angles C4'-P-C4' energy: -149.117
flat angles P-C4'-P energy: -103.728
tors. eta vs tors. theta energy: -176.318
Dist. restrs. and SS energy: 2.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -2077.224670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.224670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.182437 (E_RNA)
where:
Base-Base interactions energy: -1382.413
where: short stacking energy: -579.318
Base-Backbone interact. energy: 1.851
local terms energy: -698.619925
where:
bonds (distance) C4'-P energy: -138.352
bonds (distance) P-C4' energy: -134.539
flat angles C4'-P-C4' energy: -153.980
flat angles P-C4'-P energy: -108.022
tors. eta vs tors. theta energy: -163.728
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: 8, replica: 5
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -2018.456959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.456959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.660931 (E_RNA)
where:
Base-Base interactions energy: -1350.629
where: short stacking energy: -582.424
Base-Backbone interact. energy: -0.778
local terms energy: -670.253314
where:
bonds (distance) C4'-P energy: -148.779
bonds (distance) P-C4' energy: -133.416
flat angles C4'-P-C4' energy: -139.417
flat angles P-C4'-P energy: -88.470
tors. eta vs tors. theta energy: -160.171
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: 9, replica: 8
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -1946.085613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.085613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.163876 (E_RNA)
where:
Base-Base interactions energy: -1318.280
where: short stacking energy: -564.941
Base-Backbone interact. energy: 0.472
local terms energy: -631.355476
where:
bonds (distance) C4'-P energy: -143.868
bonds (distance) P-C4' energy: -126.729
flat angles C4'-P-C4' energy: -136.453
flat angles P-C4'-P energy: -73.529
tors. eta vs tors. theta energy: -150.777
Dist. restrs. and SS energy: 3.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -1872.896615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.896615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.380942 (E_RNA)
where:
Base-Base interactions energy: -1270.459
where: short stacking energy: -504.379
Base-Backbone interact. energy: 0.428
local terms energy: -608.350012
where:
bonds (distance) C4'-P energy: -126.383
bonds (distance) P-C4' energy: -112.602
flat angles C4'-P-C4' energy: -149.203
flat angles P-C4'-P energy: -89.185
tors. eta vs tors. theta energy: -130.977
Dist. restrs. and SS energy: 5.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -2816.344028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.344028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.063445 (E_RNA)
where:
Base-Base interactions energy: -1906.932
where: short stacking energy: -848.959
Base-Backbone interact. energy: 0.686
local terms energy: -912.817540
where:
bonds (distance) C4'-P energy: -163.634
bonds (distance) P-C4' energy: -170.558
flat angles C4'-P-C4' energy: -194.512
flat angles P-C4'-P energy: -132.835
tors. eta vs tors. theta energy: -251.279
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: 2
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -2638.084987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.084987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.769489 (E_RNA)
where:
Base-Base interactions energy: -1794.384
where: short stacking energy: -778.373
Base-Backbone interact. energy: 0.080
local terms energy: -845.465548
where:
bonds (distance) C4'-P energy: -137.766
bonds (distance) P-C4' energy: -163.567
flat angles C4'-P-C4' energy: -192.908
flat angles P-C4'-P energy: -118.559
tors. eta vs tors. theta energy: -232.666
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: 3, replica: 4
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -2592.767025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.767025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.262210 (E_RNA)
where:
Base-Base interactions energy: -1755.962
where: short stacking energy: -764.347
Base-Backbone interact. energy: -1.286
local terms energy: -837.014612
where:
bonds (distance) C4'-P energy: -158.720
bonds (distance) P-C4' energy: -165.751
flat angles C4'-P-C4' energy: -174.523
flat angles P-C4'-P energy: -116.054
tors. eta vs tors. theta energy: -221.967
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: 4, replica: 1
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -2366.285305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.285305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.967911 (E_RNA)
where:
Base-Base interactions energy: -1582.149
where: short stacking energy: -695.578
Base-Backbone interact. energy: -4.201
local terms energy: -781.617928
where:
bonds (distance) C4'-P energy: -140.883
bonds (distance) P-C4' energy: -159.188
flat angles C4'-P-C4' energy: -175.975
flat angles P-C4'-P energy: -113.770
tors. eta vs tors. theta energy: -191.802
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: 7
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -2316.905661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.905661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.669210 (E_RNA)
where:
Base-Base interactions energy: -1610.046
where: short stacking energy: -660.939
Base-Backbone interact. energy: -1.569
local terms energy: -707.055073
where:
bonds (distance) C4'-P energy: -134.026
bonds (distance) P-C4' energy: -140.724
flat angles C4'-P-C4' energy: -150.918
flat angles P-C4'-P energy: -90.894
tors. eta vs tors. theta energy: -190.493
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: 6, replica: 6
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -2219.004280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.004280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.053751 (E_RNA)
where:
Base-Base interactions energy: -1484.195
where: short stacking energy: -631.798
Base-Backbone interact. energy: -2.662
local terms energy: -734.196498
where:
bonds (distance) C4'-P energy: -131.335
bonds (distance) P-C4' energy: -159.028
flat angles C4'-P-C4' energy: -160.728
flat angles P-C4'-P energy: -101.570
tors. eta vs tors. theta energy: -181.535
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: 10
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -2077.997033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.997033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.021201 (E_RNA)
where:
Base-Base interactions energy: -1427.323
where: short stacking energy: -600.630
Base-Backbone interact. energy: 2.091
local terms energy: -653.789843
where:
bonds (distance) C4'-P energy: -116.334
bonds (distance) P-C4' energy: -131.987
flat angles C4'-P-C4' energy: -153.329
flat angles P-C4'-P energy: -88.301
tors. eta vs tors. theta energy: -163.837
Dist. restrs. and SS energy: 1.024 (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: 8
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -2036.197202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.197202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.098049 (E_RNA)
where:
Base-Base interactions energy: -1390.434
where: short stacking energy: -600.138
Base-Backbone interact. energy: -2.211
local terms energy: -646.453017
where:
bonds (distance) C4'-P energy: -133.515
bonds (distance) P-C4' energy: -137.948
flat angles C4'-P-C4' energy: -152.571
flat angles P-C4'-P energy: -72.887
tors. eta vs tors. theta energy: -149.532
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: 5
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -1977.861184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.861184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.100689 (E_RNA)
where:
Base-Base interactions energy: -1337.384
where: short stacking energy: -548.411
Base-Backbone interact. energy: -1.367
local terms energy: -641.350124
where:
bonds (distance) C4'-P energy: -142.714
bonds (distance) P-C4' energy: -134.893
flat angles C4'-P-C4' energy: -147.872
flat angles P-C4'-P energy: -73.432
tors. eta vs tors. theta energy: -142.440
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: 10, replica: 3
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -1885.492356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.492356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.875438 (E_RNA)
where:
Base-Base interactions energy: -1245.326
where: short stacking energy: -512.445
Base-Backbone interact. energy: -3.287
local terms energy: -639.263106
where:
bonds (distance) C4'-P energy: -104.326
bonds (distance) P-C4' energy: -148.665
flat angles C4'-P-C4' energy: -141.915
flat angles P-C4'-P energy: -111.374
tors. eta vs tors. theta energy: -132.983
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: 114
Temperature: 0.900000
Total energy: -2794.428045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.428045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.309914 (E_RNA)
where:
Base-Base interactions energy: -1905.027
where: short stacking energy: -838.456
Base-Backbone interact. energy: -1.320
local terms energy: -888.962875
where:
bonds (distance) C4'-P energy: -163.553
bonds (distance) P-C4' energy: -141.382
flat angles C4'-P-C4' energy: -196.237
flat angles P-C4'-P energy: -136.550
tors. eta vs tors. theta energy: -251.241
Dist. restrs. and SS energy: 0.882 (S_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: 114
Temperature: 0.950000
Total energy: -2655.552291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.552291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.638115 (E_RNA)
where:
Base-Base interactions energy: -1805.365
where: short stacking energy: -779.966
Base-Backbone interact. energy: 2.173
local terms energy: -853.446449
where:
bonds (distance) C4'-P energy: -143.946
bonds (distance) P-C4' energy: -163.607
flat angles C4'-P-C4' energy: -198.110
flat angles P-C4'-P energy: -121.484
tors. eta vs tors. theta energy: -226.301
Dist. restrs. and SS energy: 1.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -2540.356137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.356137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.046972 (E_RNA)
where:
Base-Base interactions energy: -1703.425
where: short stacking energy: -764.719
Base-Backbone interact. energy: 1.424
local terms energy: -840.046493
where:
bonds (distance) C4'-P energy: -151.871
bonds (distance) P-C4' energy: -173.001
flat angles C4'-P-C4' energy: -172.230
flat angles P-C4'-P energy: -116.002
tors. eta vs tors. theta energy: -226.943
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: 4, replica: 1
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -2366.866898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.866898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.722890 (E_RNA)
where:
Base-Base interactions energy: -1574.216
where: short stacking energy: -693.440
Base-Backbone interact. energy: 5.129
local terms energy: -799.635870
where:
bonds (distance) C4'-P energy: -152.802
bonds (distance) P-C4' energy: -159.491
flat angles C4'-P-C4' energy: -177.137
flat angles P-C4'-P energy: -108.910
tors. eta vs tors. theta energy: -201.295
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: 7
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -2323.818601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.818601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.433450 (E_RNA)
where:
Base-Base interactions energy: -1569.706
where: short stacking energy: -673.617
Base-Backbone interact. energy: 0.382
local terms energy: -756.109286
where:
bonds (distance) C4'-P energy: -144.315
bonds (distance) P-C4' energy: -138.051
flat angles C4'-P-C4' energy: -178.470
flat angles P-C4'-P energy: -103.660
tors. eta vs tors. theta energy: -191.613
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: 6, replica: 6
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -2252.212867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.212867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.031282 (E_RNA)
where:
Base-Base interactions energy: -1511.617
where: short stacking energy: -652.661
Base-Backbone interact. energy: -3.903
local terms energy: -738.511142
where:
bonds (distance) C4'-P energy: -133.332
bonds (distance) P-C4' energy: -127.688
flat angles C4'-P-C4' energy: -164.813
flat angles P-C4'-P energy: -110.511
tors. eta vs tors. theta energy: -202.167
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: 7, replica: 10
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -2078.323443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.323443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.320472 (E_RNA)
where:
Base-Base interactions energy: -1401.474
where: short stacking energy: -579.414
Base-Backbone interact. energy: 1.262
local terms energy: -680.108388
where:
bonds (distance) C4'-P energy: -147.055
bonds (distance) P-C4' energy: -156.322
flat angles C4'-P-C4' energy: -148.355
flat angles P-C4'-P energy: -77.266
tors. eta vs tors. theta energy: -151.110
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: 8, replica: 8
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -2039.158869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.158869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.856469 (E_RNA)
where:
Base-Base interactions energy: -1388.319
where: short stacking energy: -571.981
Base-Backbone interact. energy: -0.118
local terms energy: -652.419903
where:
bonds (distance) C4'-P energy: -150.382
bonds (distance) P-C4' energy: -125.117
flat angles C4'-P-C4' energy: -151.255
flat angles P-C4'-P energy: -82.379
tors. eta vs tors. theta energy: -143.287
Dist. restrs. and SS energy: 1.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -1956.730611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.730611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.315037 (E_RNA)
where:
Base-Base interactions energy: -1320.475
where: short stacking energy: -558.083
Base-Backbone interact. energy: 0.837
local terms energy: -639.676478
where:
bonds (distance) C4'-P energy: -112.582
bonds (distance) P-C4' energy: -132.146
flat angles C4'-P-C4' energy: -146.256
flat angles P-C4'-P energy: -96.963
tors. eta vs tors. theta energy: -151.730
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: 10, replica: 5
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -1912.729370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.729370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.383818 (E_RNA)
where:
Base-Base interactions energy: -1325.692
where: short stacking energy: -526.018
Base-Backbone interact. energy: -0.770
local terms energy: -594.921324
where:
bonds (distance) C4'-P energy: -113.560
bonds (distance) P-C4' energy: -137.893
flat angles C4'-P-C4' energy: -116.344
flat angles P-C4'-P energy: -94.003
tors. eta vs tors. theta energy: -133.122
Dist. restrs. and SS energy: 8.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -2822.684197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.684197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.842390 (E_RNA)
where:
Base-Base interactions energy: -1936.243
where: short stacking energy: -857.767
Base-Backbone interact. energy: -3.175
local terms energy: -884.424803
where:
bonds (distance) C4'-P energy: -161.459
bonds (distance) P-C4' energy: -163.197
flat angles C4'-P-C4' energy: -183.508
flat angles P-C4'-P energy: -133.211
tors. eta vs tors. theta energy: -243.049
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: 2, replica: 2
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -2678.223010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.223010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.977487 (E_RNA)
where:
Base-Base interactions energy: -1837.309
where: short stacking energy: -762.916
Base-Backbone interact. energy: 0.813
local terms energy: -843.481163
where:
bonds (distance) C4'-P energy: -153.657
bonds (distance) P-C4' energy: -158.086
flat angles C4'-P-C4' energy: -178.120
flat angles P-C4'-P energy: -126.127
tors. eta vs tors. theta energy: -227.490
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: 4
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -2554.252829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.252829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.752460 (E_RNA)
where:
Base-Base interactions energy: -1725.217
where: short stacking energy: -771.336
Base-Backbone interact. energy: -0.368
local terms energy: -830.167445
where:
bonds (distance) C4'-P energy: -149.790
bonds (distance) P-C4' energy: -154.165
flat angles C4'-P-C4' energy: -175.741
flat angles P-C4'-P energy: -124.254
tors. eta vs tors. theta energy: -226.218
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: 4, replica: 1
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -2327.997946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.997946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.652424 (E_RNA)
where:
Base-Base interactions energy: -1551.024
where: short stacking energy: -695.897
Base-Backbone interact. energy: -2.948
local terms energy: -775.680493
where:
bonds (distance) C4'-P energy: -124.917
bonds (distance) P-C4' energy: -163.352
flat angles C4'-P-C4' energy: -170.896
flat angles P-C4'-P energy: -111.189
tors. eta vs tors. theta energy: -205.326
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: 5, replica: 7
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -2383.789479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.789479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.768449 (E_RNA)
where:
Base-Base interactions energy: -1605.034
where: short stacking energy: -674.862
Base-Backbone interact. energy: -2.513
local terms energy: -779.221684
where:
bonds (distance) C4'-P energy: -158.915
bonds (distance) P-C4' energy: -138.966
flat angles C4'-P-C4' energy: -183.104
flat angles P-C4'-P energy: -111.364
tors. eta vs tors. theta energy: -186.873
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: 6, replica: 10
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -2142.909443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.909443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.822838 (E_RNA)
where:
Base-Base interactions energy: -1429.290
where: short stacking energy: -622.977
Base-Backbone interact. energy: -2.141
local terms energy: -713.392148
where:
bonds (distance) C4'-P energy: -135.265
bonds (distance) P-C4' energy: -139.011
flat angles C4'-P-C4' energy: -150.367
flat angles P-C4'-P energy: -110.664
tors. eta vs tors. theta energy: -178.086
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: 6
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -2144.730195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.730195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.605632 (E_RNA)
where:
Base-Base interactions energy: -1454.427
where: short stacking energy: -631.146
Base-Backbone interact. energy: -0.426
local terms energy: -692.752234
where:
bonds (distance) C4'-P energy: -128.873
bonds (distance) P-C4' energy: -135.210
flat angles C4'-P-C4' energy: -158.555
flat angles P-C4'-P energy: -85.872
tors. eta vs tors. theta energy: -184.242
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: 8, replica: 3
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -2005.564047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.564047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.939549 (E_RNA)
where:
Base-Base interactions energy: -1354.254
where: short stacking energy: -565.015
Base-Backbone interact. energy: 3.064
local terms energy: -656.749765
where:
bonds (distance) C4'-P energy: -135.400
bonds (distance) P-C4' energy: -108.429
flat angles C4'-P-C4' energy: -162.419
flat angles P-C4'-P energy: -110.485
tors. eta vs tors. theta energy: -140.017
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: 9, replica: 8
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -1947.324755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.324755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.159454 (E_RNA)
where:
Base-Base interactions energy: -1311.329
where: short stacking energy: -547.750
Base-Backbone interact. energy: -0.947
local terms energy: -637.883915
where:
bonds (distance) C4'-P energy: -145.590
bonds (distance) P-C4' energy: -128.238
flat angles C4'-P-C4' energy: -128.502
flat angles P-C4'-P energy: -87.200
tors. eta vs tors. theta energy: -148.354
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: 10, replica: 5
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -1922.090735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.090735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.974494 (E_RNA)
where:
Base-Base interactions energy: -1295.096
where: short stacking energy: -550.715
Base-Backbone interact. energy: -0.749
local terms energy: -630.129626
where:
bonds (distance) C4'-P energy: -113.828
bonds (distance) P-C4' energy: -156.761
flat angles C4'-P-C4' energy: -124.699
flat angles P-C4'-P energy: -78.211
tors. eta vs tors. theta energy: -156.630
Dist. restrs. and SS energy: 3.884 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -2865.455585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2865.455585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2867.504909 (E_RNA)
where:
Base-Base interactions energy: -1966.826
where: short stacking energy: -859.261
Base-Backbone interact. energy: -3.164
local terms energy: -897.515077
where:
bonds (distance) C4'-P energy: -163.173
bonds (distance) P-C4' energy: -168.037
flat angles C4'-P-C4' energy: -188.776
flat angles P-C4'-P energy: -128.999
tors. eta vs tors. theta energy: -248.530
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: 2, replica: 2
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -2653.392774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.392774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.550551 (E_RNA)
where:
Base-Base interactions energy: -1825.775
where: short stacking energy: -808.795
Base-Backbone interact. energy: -3.513
local terms energy: -825.262474
where:
bonds (distance) C4'-P energy: -151.045
bonds (distance) P-C4' energy: -163.047
flat angles C4'-P-C4' energy: -166.717
flat angles P-C4'-P energy: -114.261
tors. eta vs tors. theta energy: -230.194
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: 4
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -2572.217287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.217287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.239817 (E_RNA)
where:
Base-Base interactions energy: -1763.119
where: short stacking energy: -771.380
Base-Backbone interact. energy: 1.456
local terms energy: -812.576488
where:
bonds (distance) C4'-P energy: -148.603
bonds (distance) P-C4' energy: -157.303
flat angles C4'-P-C4' energy: -187.310
flat angles P-C4'-P energy: -109.100
tors. eta vs tors. theta energy: -210.260
Dist. restrs. and SS energy: 2.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -2343.015751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.015751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.374398 (E_RNA)
where:
Base-Base interactions energy: -1549.431
where: short stacking energy: -684.875
Base-Backbone interact. energy: 5.756
local terms energy: -800.699498
where:
bonds (distance) C4'-P energy: -147.681
bonds (distance) P-C4' energy: -163.758
flat angles C4'-P-C4' energy: -171.572
flat angles P-C4'-P energy: -112.829
tors. eta vs tors. theta energy: -204.860
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: 7
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -2327.091973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.091973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.994600 (E_RNA)
where:
Base-Base interactions energy: -1615.180
where: short stacking energy: -700.190
Base-Backbone interact. energy: -2.977
local terms energy: -710.837240
where:
bonds (distance) C4'-P energy: -128.585
bonds (distance) P-C4' energy: -127.497
flat angles C4'-P-C4' energy: -160.532
flat angles P-C4'-P energy: -107.566
tors. eta vs tors. theta energy: -186.657
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: 6, replica: 10
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -2186.588808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.588808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.736529 (E_RNA)
where:
Base-Base interactions energy: -1460.695
where: short stacking energy: -663.288
Base-Backbone interact. energy: -2.809
local terms energy: -725.232738
where:
bonds (distance) C4'-P energy: -139.834
bonds (distance) P-C4' energy: -119.555
flat angles C4'-P-C4' energy: -158.044
flat angles P-C4'-P energy: -113.080
tors. eta vs tors. theta energy: -194.720
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: 3
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -2105.750294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.750294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.515658 (E_RNA)
where:
Base-Base interactions energy: -1436.691
where: short stacking energy: -621.030
Base-Backbone interact. energy: -4.136
local terms energy: -667.688308
where:
bonds (distance) C4'-P energy: -126.895
bonds (distance) P-C4' energy: -131.934
flat angles C4'-P-C4' energy: -156.968
flat angles P-C4'-P energy: -100.513
tors. eta vs tors. theta energy: -151.378
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: 8, replica: 6
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -2055.305271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.305271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.239920 (E_RNA)
where:
Base-Base interactions energy: -1401.485
where: short stacking energy: -591.895
Base-Backbone interact. energy: -2.211
local terms energy: -654.544136
where:
bonds (distance) C4'-P energy: -103.559
bonds (distance) P-C4' energy: -129.996
flat angles C4'-P-C4' energy: -162.030
flat angles P-C4'-P energy: -97.809
tors. eta vs tors. theta energy: -161.150
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: 9, replica: 8
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -1941.123133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.123133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.332350 (E_RNA)
where:
Base-Base interactions energy: -1353.680
where: short stacking energy: -573.693
Base-Backbone interact. energy: 9.433
local terms energy: -600.085536
where:
bonds (distance) C4'-P energy: -107.070
bonds (distance) P-C4' energy: -118.382
flat angles C4'-P-C4' energy: -127.885
flat angles P-C4'-P energy: -97.319
tors. eta vs tors. theta energy: -149.430
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: 10, replica: 5
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -1886.612074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.612074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.315981 (E_RNA)
where:
Base-Base interactions energy: -1273.955
where: short stacking energy: -527.252
Base-Backbone interact. energy: 4.453
local terms energy: -622.813858
where:
bonds (distance) C4'-P energy: -123.759
bonds (distance) P-C4' energy: -122.491
flat angles C4'-P-C4' energy: -153.085
flat angles P-C4'-P energy: -87.342
tors. eta vs tors. theta energy: -136.136
Dist. restrs. and SS energy: 5.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -2822.216047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.216047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.906064 (E_RNA)
where:
Base-Base interactions energy: -1918.304
where: short stacking energy: -822.036
Base-Backbone interact. energy: -3.308
local terms energy: -903.293746
where:
bonds (distance) C4'-P energy: -161.091
bonds (distance) P-C4' energy: -167.168
flat angles C4'-P-C4' energy: -183.645
flat angles P-C4'-P energy: -144.799
tors. eta vs tors. theta energy: -246.591
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: 2, replica: 2
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -2640.724164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.724164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.990250 (E_RNA)
where:
Base-Base interactions energy: -1799.874
where: short stacking energy: -818.616
Base-Backbone interact. energy: -3.126
local terms energy: -838.989456
where:
bonds (distance) C4'-P energy: -149.800
bonds (distance) P-C4' energy: -158.459
flat angles C4'-P-C4' energy: -178.668
flat angles P-C4'-P energy: -116.882
tors. eta vs tors. theta energy: -235.180
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: 3, replica: 4
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -2581.292287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.292287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.010665 (E_RNA)
where:
Base-Base interactions energy: -1723.765
where: short stacking energy: -738.644
Base-Backbone interact. energy: -2.858
local terms energy: -856.387825
where:
bonds (distance) C4'-P energy: -167.155
bonds (distance) P-C4' energy: -161.229
flat angles C4'-P-C4' energy: -186.364
flat angles P-C4'-P energy: -122.838
tors. eta vs tors. theta energy: -218.801
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: 4, replica: 7
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -2341.067114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.067114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.451857 (E_RNA)
where:
Base-Base interactions energy: -1579.327
where: short stacking energy: -680.427
Base-Backbone interact. energy: 4.735
local terms energy: -768.859971
where:
bonds (distance) C4'-P energy: -146.868
bonds (distance) P-C4' energy: -156.056
flat angles C4'-P-C4' energy: -169.042
flat angles P-C4'-P energy: -100.599
tors. eta vs tors. theta energy: -196.295
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: 1
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -2260.715158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.715158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.063817 (E_RNA)
where:
Base-Base interactions energy: -1481.208
where: short stacking energy: -662.351
Base-Backbone interact. energy: -4.450
local terms energy: -777.405580
where:
bonds (distance) C4'-P energy: -150.795
bonds (distance) P-C4' energy: -135.165
flat angles C4'-P-C4' energy: -183.238
flat angles P-C4'-P energy: -114.580
tors. eta vs tors. theta energy: -193.629
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: 6, replica: 10
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -2204.870168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.870168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.211869 (E_RNA)
where:
Base-Base interactions energy: -1482.263
where: short stacking energy: -638.175
Base-Backbone interact. energy: -1.804
local terms energy: -722.144884
where:
bonds (distance) C4'-P energy: -134.142
bonds (distance) P-C4' energy: -147.460
flat angles C4'-P-C4' energy: -154.994
flat angles P-C4'-P energy: -104.038
tors. eta vs tors. theta energy: -181.510
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: 7, replica: 3
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -2086.720065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.720065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.513593 (E_RNA)
where:
Base-Base interactions energy: -1431.410
where: short stacking energy: -608.423
Base-Backbone interact. energy: -2.100
local terms energy: -656.003740
where:
bonds (distance) C4'-P energy: -120.472
bonds (distance) P-C4' energy: -119.193
flat angles C4'-P-C4' energy: -148.973
flat angles P-C4'-P energy: -90.481
tors. eta vs tors. theta energy: -176.884
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: 8, replica: 6
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -2066.761754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.761754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.060770 (E_RNA)
where:
Base-Base interactions energy: -1387.565
where: short stacking energy: -609.146
Base-Backbone interact. energy: -1.689
local terms energy: -679.807462
where:
bonds (distance) C4'-P energy: -131.776
bonds (distance) P-C4' energy: -138.767
flat angles C4'-P-C4' energy: -154.503
flat angles P-C4'-P energy: -95.471
tors. eta vs tors. theta energy: -159.291
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: 9, replica: 8
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -1963.881618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.881618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.416639 (E_RNA)
where:
Base-Base interactions energy: -1375.102
where: short stacking energy: -591.812
Base-Backbone interact. energy: 1.548
local terms energy: -592.862938
where:
bonds (distance) C4'-P energy: -125.299
bonds (distance) P-C4' energy: -121.530
flat angles C4'-P-C4' energy: -131.106
flat angles P-C4'-P energy: -73.854
tors. eta vs tors. theta energy: -141.074
Dist. restrs. and SS energy: 2.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -1903.406438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.406438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.667441 (E_RNA)
where:
Base-Base interactions energy: -1251.034
where: short stacking energy: -517.000
Base-Backbone interact. energy: -0.583
local terms energy: -655.049647
where:
bonds (distance) C4'-P energy: -127.382
bonds (distance) P-C4' energy: -136.531
flat angles C4'-P-C4' energy: -157.702
flat angles P-C4'-P energy: -96.272
tors. eta vs tors. theta energy: -137.162
Dist. restrs. and SS energy: 3.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -2800.830828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.830828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.767808 (E_RNA)
where:
Base-Base interactions energy: -1895.764
where: short stacking energy: -808.833
Base-Backbone interact. energy: -5.277
local terms energy: -901.726347
where:
bonds (distance) C4'-P energy: -167.489
bonds (distance) P-C4' energy: -177.043
flat angles C4'-P-C4' energy: -189.034
flat angles P-C4'-P energy: -127.536
tors. eta vs tors. theta energy: -240.624
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: 2
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -2655.534842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.534842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.167533 (E_RNA)
where:
Base-Base interactions energy: -1808.020
where: short stacking energy: -784.764
Base-Backbone interact. energy: 0.884
local terms energy: -850.031581
where:
bonds (distance) C4'-P energy: -167.798
bonds (distance) P-C4' energy: -155.700
flat angles C4'-P-C4' energy: -184.011
flat angles P-C4'-P energy: -115.383
tors. eta vs tors. theta energy: -227.140
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: 3, replica: 4
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -2566.777020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.777020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.470017 (E_RNA)
where:
Base-Base interactions energy: -1719.128
where: short stacking energy: -757.684
Base-Backbone interact. energy: -1.831
local terms energy: -847.511457
where:
bonds (distance) C4'-P energy: -170.407
bonds (distance) P-C4' energy: -157.377
flat angles C4'-P-C4' energy: -167.953
flat angles P-C4'-P energy: -132.542
tors. eta vs tors. theta energy: -219.232
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: 7
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -2366.470472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.470472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.417001 (E_RNA)
where:
Base-Base interactions energy: -1585.316
where: short stacking energy: -699.099
Base-Backbone interact. energy: -0.762
local terms energy: -782.338950
where:
bonds (distance) C4'-P energy: -146.959
bonds (distance) P-C4' energy: -157.698
flat angles C4'-P-C4' energy: -168.482
flat angles P-C4'-P energy: -120.822
tors. eta vs tors. theta energy: -188.378
Dist. restrs. and SS energy: 1.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -2221.198960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.198960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.180652 (E_RNA)
where:
Base-Base interactions energy: -1494.926
where: short stacking energy: -658.138
Base-Backbone interact. energy: 4.943
local terms energy: -733.197354
where:
bonds (distance) C4'-P energy: -143.865
bonds (distance) P-C4' energy: -155.258
flat angles C4'-P-C4' energy: -162.434
flat angles P-C4'-P energy: -103.093
tors. eta vs tors. theta energy: -168.548
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: 6, replica: 10
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -2192.093339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.093339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.927339 (E_RNA)
where:
Base-Base interactions energy: -1491.014
where: short stacking energy: -641.895
Base-Backbone interact. energy: 7.417
local terms energy: -710.330373
where:
bonds (distance) C4'-P energy: -133.337
bonds (distance) P-C4' energy: -148.311
flat angles C4'-P-C4' energy: -147.323
flat angles P-C4'-P energy: -105.012
tors. eta vs tors. theta energy: -176.347
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: 118
Temperature: 1.200000
Total energy: -2095.271023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.271023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.541136 (E_RNA)
where:
Base-Base interactions energy: -1433.883
where: short stacking energy: -596.694
Base-Backbone interact. energy: -2.750
local terms energy: -659.907486
where:
bonds (distance) C4'-P energy: -131.169
bonds (distance) P-C4' energy: -138.902
flat angles C4'-P-C4' energy: -141.019
flat angles P-C4'-P energy: -92.003
tors. eta vs tors. theta energy: -156.814
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: 8, replica: 6
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -2076.902637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.902637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.997275 (E_RNA)
where:
Base-Base interactions energy: -1404.308
where: short stacking energy: -599.829
Base-Backbone interact. energy: -3.115
local terms energy: -675.574008
where:
bonds (distance) C4'-P energy: -127.786
bonds (distance) P-C4' energy: -138.226
flat angles C4'-P-C4' energy: -148.535
flat angles P-C4'-P energy: -112.596
tors. eta vs tors. theta energy: -148.432
Dist. restrs. and SS energy: 6.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -1946.542773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.542773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.051095 (E_RNA)
where:
Base-Base interactions energy: -1300.166
where: short stacking energy: -509.839
Base-Backbone interact. energy: 2.187
local terms energy: -650.072617
where:
bonds (distance) C4'-P energy: -121.658
bonds (distance) P-C4' energy: -149.239
flat angles C4'-P-C4' energy: -154.927
flat angles P-C4'-P energy: -98.599
tors. eta vs tors. theta energy: -125.650
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: 10, replica: 8
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -1914.558708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.558708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.876585 (E_RNA)
where:
Base-Base interactions energy: -1287.965
where: short stacking energy: -547.430
Base-Backbone interact. energy: -0.705
local terms energy: -629.207379
where:
bonds (distance) C4'-P energy: -129.388
bonds (distance) P-C4' energy: -132.171
flat angles C4'-P-C4' energy: -133.799
flat angles P-C4'-P energy: -91.615
tors. eta vs tors. theta energy: -142.235
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: 1, replica: 9
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -2826.063298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2826.063298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.685844 (E_RNA)
where:
Base-Base interactions energy: -1955.156
where: short stacking energy: -826.011
Base-Backbone interact. energy: -5.013
local terms energy: -867.517126
where:
bonds (distance) C4'-P energy: -149.483
bonds (distance) P-C4' energy: -175.474
flat angles C4'-P-C4' energy: -177.832
flat angles P-C4'-P energy: -116.757
tors. eta vs tors. theta energy: -247.971
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: 2, replica: 2
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -2629.977135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.977135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.457367 (E_RNA)
where:
Base-Base interactions energy: -1785.306
where: short stacking energy: -769.480
Base-Backbone interact. energy: -4.262
local terms energy: -841.889564
where:
bonds (distance) C4'-P energy: -166.772
bonds (distance) P-C4' energy: -152.214
flat angles C4'-P-C4' energy: -180.194
flat angles P-C4'-P energy: -115.327
tors. eta vs tors. theta energy: -227.383
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: 3, replica: 4
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -2579.358917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.358917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.139366 (E_RNA)
where:
Base-Base interactions energy: -1757.753
where: short stacking energy: -760.994
Base-Backbone interact. energy: 0.906
local terms energy: -824.291674
where:
bonds (distance) C4'-P energy: -145.198
bonds (distance) P-C4' energy: -148.158
flat angles C4'-P-C4' energy: -175.915
flat angles P-C4'-P energy: -119.905
tors. eta vs tors. theta energy: -235.115
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: 4, replica: 7
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -2387.976059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.976059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.475363 (E_RNA)
where:
Base-Base interactions energy: -1617.324
where: short stacking energy: -691.236
Base-Backbone interact. energy: -3.789
local terms energy: -769.363222
where:
bonds (distance) C4'-P energy: -135.749
bonds (distance) P-C4' energy: -151.902
flat angles C4'-P-C4' energy: -170.861
flat angles P-C4'-P energy: -116.665
tors. eta vs tors. theta energy: -194.187
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: 1
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -2231.988474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.988474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.670674 (E_RNA)
where:
Base-Base interactions energy: -1478.501
where: short stacking energy: -647.288
Base-Backbone interact. energy: -5.286
local terms energy: -749.882921
where:
bonds (distance) C4'-P energy: -145.927
bonds (distance) P-C4' energy: -151.030
flat angles C4'-P-C4' energy: -176.102
flat angles P-C4'-P energy: -105.536
tors. eta vs tors. theta energy: -171.288
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: 6, replica: 10
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -2238.990847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.990847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.382749 (E_RNA)
where:
Base-Base interactions energy: -1512.807
where: short stacking energy: -640.797
Base-Backbone interact. energy: 0.057
local terms energy: -728.633348
where:
bonds (distance) C4'-P energy: -138.600
bonds (distance) P-C4' energy: -149.040
flat angles C4'-P-C4' energy: -158.451
flat angles P-C4'-P energy: -109.441
tors. eta vs tors. theta energy: -173.101
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: 7, replica: 3
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -2079.817940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.817940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.732928 (E_RNA)
where:
Base-Base interactions energy: -1424.418
where: short stacking energy: -607.271
Base-Backbone interact. energy: -0.648
local terms energy: -655.666709
where:
bonds (distance) C4'-P energy: -130.925
bonds (distance) P-C4' energy: -133.715
flat angles C4'-P-C4' energy: -140.355
flat angles P-C4'-P energy: -111.142
tors. eta vs tors. theta energy: -139.530
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: 6
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -1992.800851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.800851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.740077 (E_RNA)
where:
Base-Base interactions energy: -1382.644
where: short stacking energy: -578.983
Base-Backbone interact. energy: 1.626
local terms energy: -615.722183
where:
bonds (distance) C4'-P energy: -111.741
bonds (distance) P-C4' energy: -113.561
flat angles C4'-P-C4' energy: -138.826
flat angles P-C4'-P energy: -92.676
tors. eta vs tors. theta energy: -158.918
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: 9, replica: 5
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -1983.862098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.862098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.005731 (E_RNA)
where:
Base-Base interactions energy: -1344.012
where: short stacking energy: -573.532
Base-Backbone interact. energy: 4.026
local terms energy: -647.019920
where:
bonds (distance) C4'-P energy: -129.076
bonds (distance) P-C4' energy: -140.567
flat angles C4'-P-C4' energy: -147.848
flat angles P-C4'-P energy: -77.207
tors. eta vs tors. theta energy: -152.322
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: 119
Temperature: 1.350000
Total energy: -1889.156465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.156465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.270160 (E_RNA)
where:
Base-Base interactions energy: -1276.181
where: short stacking energy: -530.905
Base-Backbone interact. energy: -2.627
local terms energy: -613.462014
where:
bonds (distance) C4'-P energy: -110.686
bonds (distance) P-C4' energy: -124.468
flat angles C4'-P-C4' energy: -131.263
flat angles P-C4'-P energy: -96.242
tors. eta vs tors. theta energy: -150.802
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: 1, replica: 9
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -2841.624186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2841.624186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.800192 (E_RNA)
where:
Base-Base interactions energy: -1956.118
where: short stacking energy: -816.581
Base-Backbone interact. energy: -4.046
local terms energy: -883.635390
where:
bonds (distance) C4'-P energy: -163.369
bonds (distance) P-C4' energy: -168.048
flat angles C4'-P-C4' energy: -191.690
flat angles P-C4'-P energy: -117.377
tors. eta vs tors. theta energy: -243.152
Dist. restrs. and SS energy: 2.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -2637.179867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.179867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.757447 (E_RNA)
where:
Base-Base interactions energy: -1812.163
where: short stacking energy: -776.363
Base-Backbone interact. energy: -3.983
local terms energy: -822.611291
where:
bonds (distance) C4'-P energy: -134.257
bonds (distance) P-C4' energy: -162.125
flat angles C4'-P-C4' energy: -179.091
flat angles P-C4'-P energy: -117.050
tors. eta vs tors. theta energy: -230.088
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: 3, replica: 7
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -2482.729930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.729930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.745255 (E_RNA)
where:
Base-Base interactions energy: -1661.579
where: short stacking energy: -757.620
Base-Backbone interact. energy: -0.425
local terms energy: -823.740963
where:
bonds (distance) C4'-P energy: -140.500
bonds (distance) P-C4' energy: -159.200
flat angles C4'-P-C4' energy: -185.946
flat angles P-C4'-P energy: -127.559
tors. eta vs tors. theta energy: -210.537
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: 4, replica: 4
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -2497.209624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.209624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.169672 (E_RNA)
where:
Base-Base interactions energy: -1688.284
where: short stacking energy: -725.391
Base-Backbone interact. energy: -1.856
local terms energy: -809.029768
where:
bonds (distance) C4'-P energy: -134.854
bonds (distance) P-C4' energy: -160.749
flat angles C4'-P-C4' energy: -177.468
flat angles P-C4'-P energy: -110.244
tors. eta vs tors. theta energy: -225.715
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: 1
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -2314.857576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.857576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.025271 (E_RNA)
where:
Base-Base interactions energy: -1574.475
where: short stacking energy: -698.093
Base-Backbone interact. energy: -3.251
local terms energy: -739.298806
where:
bonds (distance) C4'-P energy: -131.213
bonds (distance) P-C4' energy: -147.425
flat angles C4'-P-C4' energy: -156.777
flat angles P-C4'-P energy: -102.456
tors. eta vs tors. theta energy: -201.428
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: 6, replica: 10
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -2228.452670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.452670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.302877 (E_RNA)
where:
Base-Base interactions energy: -1512.703
where: short stacking energy: -627.553
Base-Backbone interact. energy: -0.430
local terms energy: -718.169855
where:
bonds (distance) C4'-P energy: -131.779
bonds (distance) P-C4' energy: -148.220
flat angles C4'-P-C4' energy: -162.219
flat angles P-C4'-P energy: -101.972
tors. eta vs tors. theta energy: -173.980
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: 7, replica: 3
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -2073.234722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.234722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.858911 (E_RNA)
where:
Base-Base interactions energy: -1395.390
where: short stacking energy: -582.996
Base-Backbone interact. energy: -0.964
local terms energy: -678.504291
where:
bonds (distance) C4'-P energy: -125.702
bonds (distance) P-C4' energy: -150.575
flat angles C4'-P-C4' energy: -161.849
flat angles P-C4'-P energy: -84.359
tors. eta vs tors. theta energy: -156.019
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: 8, replica: 6
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -2043.576301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.576301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.531233 (E_RNA)
where:
Base-Base interactions energy: -1380.386
where: short stacking energy: -565.748
Base-Backbone interact. energy: 3.740
local terms energy: -668.885015
where:
bonds (distance) C4'-P energy: -138.206
bonds (distance) P-C4' energy: -147.500
flat angles C4'-P-C4' energy: -133.783
flat angles P-C4'-P energy: -107.440
tors. eta vs tors. theta energy: -141.956
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: 9, replica: 5
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -1959.724195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.724195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.295494 (E_RNA)
where:
Base-Base interactions energy: -1346.306
where: short stacking energy: -562.568
Base-Backbone interact. energy: 1.176
local terms energy: -617.165630
where:
bonds (distance) C4'-P energy: -106.683
bonds (distance) P-C4' energy: -136.641
flat angles C4'-P-C4' energy: -136.608
flat angles P-C4'-P energy: -91.064
tors. eta vs tors. theta energy: -146.169
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: 10, replica: 8
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -1864.779537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.779537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.599911 (E_RNA)
where:
Base-Base interactions energy: -1269.095
where: short stacking energy: -535.343
Base-Backbone interact. energy: -0.549
local terms energy: -599.956335
where:
bonds (distance) C4'-P energy: -112.678
bonds (distance) P-C4' energy: -145.019
flat angles C4'-P-C4' energy: -132.444
flat angles P-C4'-P energy: -88.760
tors. eta vs tors. theta energy: -121.055
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: 1, replica: 9
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -2840.372367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.372367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2842.026027 (E_RNA)
where:
Base-Base interactions energy: -1968.036
where: short stacking energy: -828.669
Base-Backbone interact. energy: -2.093
local terms energy: -871.897581
where:
bonds (distance) C4'-P energy: -139.199
bonds (distance) P-C4' energy: -166.372
flat angles C4'-P-C4' energy: -192.458
flat angles P-C4'-P energy: -124.836
tors. eta vs tors. theta energy: -249.033
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: 2, replica: 2
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -2682.103364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.103364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.195230 (E_RNA)
where:
Base-Base interactions energy: -1819.625
where: short stacking energy: -772.149
Base-Backbone interact. energy: -3.642
local terms energy: -860.928137
where:
bonds (distance) C4'-P energy: -162.110
bonds (distance) P-C4' energy: -169.142
flat angles C4'-P-C4' energy: -176.660
flat angles P-C4'-P energy: -118.276
tors. eta vs tors. theta energy: -234.740
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: 3, replica: 7
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -2499.244817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.244817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.104154 (E_RNA)
where:
Base-Base interactions energy: -1694.049
where: short stacking energy: -733.156
Base-Backbone interact. energy: 2.222
local terms energy: -810.277603
where:
bonds (distance) C4'-P energy: -157.039
bonds (distance) P-C4' energy: -148.630
flat angles C4'-P-C4' energy: -183.585
flat angles P-C4'-P energy: -108.102
tors. eta vs tors. theta energy: -212.922
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: 4, replica: 4
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -2505.598863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.598863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.636565 (E_RNA)
where:
Base-Base interactions energy: -1736.187
where: short stacking energy: -711.038
Base-Backbone interact. energy: -1.289
local terms energy: -770.160861
where:
bonds (distance) C4'-P energy: -133.633
bonds (distance) P-C4' energy: -145.483
flat angles C4'-P-C4' energy: -177.424
flat angles P-C4'-P energy: -96.883
tors. eta vs tors. theta energy: -216.738
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: 5, replica: 1
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -2330.625314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.625314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.365671 (E_RNA)
where:
Base-Base interactions energy: -1571.934
where: short stacking energy: -677.186
Base-Backbone interact. energy: -2.043
local terms energy: -759.388516
where:
bonds (distance) C4'-P energy: -138.086
bonds (distance) P-C4' energy: -150.710
flat angles C4'-P-C4' energy: -169.796
flat angles P-C4'-P energy: -100.268
tors. eta vs tors. theta energy: -200.528
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: 6, replica: 10
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -2200.073351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.073351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.947414 (E_RNA)
where:
Base-Base interactions energy: -1512.567
where: short stacking energy: -646.586
Base-Backbone interact. energy: -3.169
local terms energy: -687.211021
where:
bonds (distance) C4'-P energy: -126.736
bonds (distance) P-C4' energy: -140.168
flat angles C4'-P-C4' energy: -161.734
flat angles P-C4'-P energy: -92.419
tors. eta vs tors. theta energy: -166.154
Dist. restrs. and SS energy: 2.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -2079.929720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.929720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.911757 (E_RNA)
where:
Base-Base interactions energy: -1394.490
where: short stacking energy: -591.120
Base-Backbone interact. energy: 1.376
local terms energy: -688.797567
where:
bonds (distance) C4'-P energy: -129.327
bonds (distance) P-C4' energy: -149.851
flat angles C4'-P-C4' energy: -151.752
flat angles P-C4'-P energy: -115.955
tors. eta vs tors. theta energy: -141.913
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: 8, replica: 6
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -2076.631721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.631721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.750564 (E_RNA)
where:
Base-Base interactions energy: -1426.693
where: short stacking energy: -601.631
Base-Backbone interact. energy: 4.965
local terms energy: -659.021920
where:
bonds (distance) C4'-P energy: -127.916
bonds (distance) P-C4' energy: -131.393
flat angles C4'-P-C4' energy: -152.404
flat angles P-C4'-P energy: -98.083
tors. eta vs tors. theta energy: -149.226
Dist. restrs. and SS energy: 4.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -1928.011753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.011753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.333063 (E_RNA)
where:
Base-Base interactions energy: -1328.786
where: short stacking energy: -555.492
Base-Backbone interact. energy: 5.925
local terms energy: -611.473004
where:
bonds (distance) C4'-P energy: -131.495
bonds (distance) P-C4' energy: -115.539
flat angles C4'-P-C4' energy: -147.625
flat angles P-C4'-P energy: -79.689
tors. eta vs tors. theta energy: -137.125
Dist. restrs. and SS energy: 6.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -1815.580122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.580122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.523426 (E_RNA)
where:
Base-Base interactions energy: -1270.404
where: short stacking energy: -520.242
Base-Backbone interact. energy: 0.941
local terms energy: -549.060640
where:
bonds (distance) C4'-P energy: -111.890
bonds (distance) P-C4' energy: -119.557
flat angles C4'-P-C4' energy: -129.073
flat angles P-C4'-P energy: -65.975
tors. eta vs tors. theta energy: -122.566
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: 1, replica: 9
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -2868.603149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2868.603149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2870.219184 (E_RNA)
where:
Base-Base interactions energy: -1968.424
where: short stacking energy: -835.096
Base-Backbone interact. energy: 2.154
local terms energy: -903.949055
where:
bonds (distance) C4'-P energy: -157.504
bonds (distance) P-C4' energy: -166.389
flat angles C4'-P-C4' energy: -191.337
flat angles P-C4'-P energy: -135.759
tors. eta vs tors. theta energy: -252.960
Dist. restrs. and SS energy: 1.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -2668.205046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.205046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.511800 (E_RNA)
where:
Base-Base interactions energy: -1819.936
where: short stacking energy: -778.005
Base-Backbone interact. energy: -3.884
local terms energy: -845.691607
where:
bonds (distance) C4'-P energy: -161.919
bonds (distance) P-C4' energy: -166.715
flat angles C4'-P-C4' energy: -170.224
flat angles P-C4'-P energy: -121.076
tors. eta vs tors. theta energy: -225.758
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: 4
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -2563.874973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.874973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.867862 (E_RNA)
where:
Base-Base interactions energy: -1777.400
where: short stacking energy: -784.480
Base-Backbone interact. energy: 0.567
local terms energy: -789.034961
where:
bonds (distance) C4'-P energy: -125.409
bonds (distance) P-C4' energy: -142.553
flat angles C4'-P-C4' energy: -180.764
flat angles P-C4'-P energy: -110.062
tors. eta vs tors. theta energy: -230.247
Dist. restrs. and SS energy: 1.993 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -2439.248167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.248167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.598884 (E_RNA)
where:
Base-Base interactions energy: -1664.377
where: short stacking energy: -715.975
Base-Backbone interact. energy: -3.154
local terms energy: -773.067824
where:
bonds (distance) C4'-P energy: -132.026
bonds (distance) P-C4' energy: -157.192
flat angles C4'-P-C4' energy: -161.673
flat angles P-C4'-P energy: -126.245
tors. eta vs tors. theta energy: -195.932
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: 10
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -2282.605186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.605186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.389832 (E_RNA)
where:
Base-Base interactions energy: -1567.978
where: short stacking energy: -678.816
Base-Backbone interact. energy: 1.697
local terms energy: -718.109569
where:
bonds (distance) C4'-P energy: -124.936
bonds (distance) P-C4' energy: -144.172
flat angles C4'-P-C4' energy: -144.438
flat angles P-C4'-P energy: -114.845
tors. eta vs tors. theta energy: -189.718
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: 6, replica: 1
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -2207.352597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.352597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.987342 (E_RNA)
where:
Base-Base interactions energy: -1497.019
where: short stacking energy: -627.018
Base-Backbone interact. energy: 1.203
local terms energy: -713.171262
where:
bonds (distance) C4'-P energy: -131.289
bonds (distance) P-C4' energy: -147.495
flat angles C4'-P-C4' energy: -158.250
flat angles P-C4'-P energy: -101.160
tors. eta vs tors. theta energy: -174.979
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: 7, replica: 3
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -2082.974072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.974072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.377175 (E_RNA)
where:
Base-Base interactions energy: -1399.856
where: short stacking energy: -604.745
Base-Backbone interact. energy: -0.913
local terms energy: -685.608665
where:
bonds (distance) C4'-P energy: -135.521
bonds (distance) P-C4' energy: -139.351
flat angles C4'-P-C4' energy: -163.767
flat angles P-C4'-P energy: -87.487
tors. eta vs tors. theta energy: -159.482
Dist. restrs. and SS energy: 3.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -2064.139693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.139693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.064541 (E_RNA)
where:
Base-Base interactions energy: -1396.226
where: short stacking energy: -629.380
Base-Backbone interact. energy: 7.691
local terms energy: -678.530143
where:
bonds (distance) C4'-P energy: -127.447
bonds (distance) P-C4' energy: -149.311
flat angles C4'-P-C4' energy: -155.903
flat angles P-C4'-P energy: -84.203
tors. eta vs tors. theta energy: -161.666
Dist. restrs. and SS energy: 2.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -1992.135257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.135257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.690189 (E_RNA)
where:
Base-Base interactions energy: -1377.053
where: short stacking energy: -592.852
Base-Backbone interact. energy: 12.628
local terms energy: -631.265869
where:
bonds (distance) C4'-P energy: -120.109
bonds (distance) P-C4' energy: -131.431
flat angles C4'-P-C4' energy: -134.363
flat angles P-C4'-P energy: -100.687
tors. eta vs tors. theta energy: -144.675
Dist. restrs. and SS energy: 3.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -1846.362940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.362940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.826821 (E_RNA)
where:
Base-Base interactions energy: -1263.252
where: short stacking energy: -526.479
Base-Backbone interact. energy: 0.599
local terms energy: -585.174209
where:
bonds (distance) C4'-P energy: -109.009
bonds (distance) P-C4' energy: -138.603
flat angles C4'-P-C4' energy: -142.356
flat angles P-C4'-P energy: -67.750
tors. eta vs tors. theta energy: -127.456
Dist. restrs. and SS energy: 1.464 (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: 123
Temperature: 0.900000
Total energy: -2832.811160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.811160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.472075 (E_RNA)
where:
Base-Base interactions energy: -1934.049
where: short stacking energy: -833.717
Base-Backbone interact. energy: -2.418
local terms energy: -899.005266
where:
bonds (distance) C4'-P energy: -164.901
bonds (distance) P-C4' energy: -173.928
flat angles C4'-P-C4' energy: -185.183
flat angles P-C4'-P energy: -120.150
tors. eta vs tors. theta energy: -254.843
Dist. restrs. and SS energy: 2.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -2702.484802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.484802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.641252 (E_RNA)
where:
Base-Base interactions energy: -1855.382
where: short stacking energy: -797.781
Base-Backbone interact. energy: -3.680
local terms energy: -844.579593
where:
bonds (distance) C4'-P energy: -146.345
bonds (distance) P-C4' energy: -154.906
flat angles C4'-P-C4' energy: -190.507
flat angles P-C4'-P energy: -122.623
tors. eta vs tors. theta energy: -230.198
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: 3, replica: 4
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -2559.489083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.489083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.259888 (E_RNA)
where:
Base-Base interactions energy: -1763.125
where: short stacking energy: -785.758
Base-Backbone interact. energy: -0.928
local terms energy: -797.206766
where:
bonds (distance) C4'-P energy: -151.216
bonds (distance) P-C4' energy: -127.715
flat angles C4'-P-C4' energy: -169.329
flat angles P-C4'-P energy: -123.781
tors. eta vs tors. theta energy: -225.166
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: 4, replica: 7
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -2433.336181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.336181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.659447 (E_RNA)
where:
Base-Base interactions energy: -1637.874
where: short stacking energy: -729.580
Base-Backbone interact. energy: -1.260
local terms energy: -795.525055
where:
bonds (distance) C4'-P energy: -133.292
bonds (distance) P-C4' energy: -160.729
flat angles C4'-P-C4' energy: -184.179
flat angles P-C4'-P energy: -104.754
tors. eta vs tors. theta energy: -212.571
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: 5, replica: 10
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -2271.755382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.755382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.217369 (E_RNA)
where:
Base-Base interactions energy: -1542.291
where: short stacking energy: -644.651
Base-Backbone interact. energy: 4.659
local terms energy: -736.585564
where:
bonds (distance) C4'-P energy: -129.807
bonds (distance) P-C4' energy: -155.606
flat angles C4'-P-C4' energy: -162.841
flat angles P-C4'-P energy: -111.218
tors. eta vs tors. theta energy: -177.114
Dist. restrs. and SS energy: 2.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -2166.989634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.989634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.105715 (E_RNA)
where:
Base-Base interactions energy: -1472.283
where: short stacking energy: -647.731
Base-Backbone interact. energy: 0.622
local terms energy: -697.444104
where:
bonds (distance) C4'-P energy: -116.919
bonds (distance) P-C4' energy: -136.951
flat angles C4'-P-C4' energy: -161.425
flat angles P-C4'-P energy: -102.244
tors. eta vs tors. theta energy: -179.905
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: 123
Temperature: 1.200000
Total energy: -2077.179138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.179138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.164849 (E_RNA)
where:
Base-Base interactions energy: -1387.902
where: short stacking energy: -593.589
Base-Backbone interact. energy: 0.722
local terms energy: -691.984407
where:
bonds (distance) C4'-P energy: -140.620
bonds (distance) P-C4' energy: -162.790
flat angles C4'-P-C4' energy: -145.590
flat angles P-C4'-P energy: -89.099
tors. eta vs tors. theta energy: -153.885
Dist. restrs. and SS energy: 1.986 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -2014.619767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.619767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.439896 (E_RNA)
where:
Base-Base interactions energy: -1381.229
where: short stacking energy: -585.317
Base-Backbone interact. energy: -1.216
local terms energy: -635.995235
where:
bonds (distance) C4'-P energy: -132.337
bonds (distance) P-C4' energy: -138.899
flat angles C4'-P-C4' energy: -152.888
flat angles P-C4'-P energy: -80.211
tors. eta vs tors. theta energy: -131.661
Dist. restrs. and SS energy: 3.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -1994.964856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.964856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.780678 (E_RNA)
where:
Base-Base interactions energy: -1361.713
where: short stacking energy: -613.171
Base-Backbone interact. energy: -1.549
local terms energy: -634.518693
where:
bonds (distance) C4'-P energy: -127.683
bonds (distance) P-C4' energy: -119.495
flat angles C4'-P-C4' energy: -153.142
flat angles P-C4'-P energy: -92.815
tors. eta vs tors. theta energy: -141.384
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: 10, replica: 8
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -1851.280167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.280167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.892350 (E_RNA)
where:
Base-Base interactions energy: -1251.219
where: short stacking energy: -533.081
Base-Backbone interact. energy: -2.497
local terms energy: -600.176533
where:
bonds (distance) C4'-P energy: -119.610
bonds (distance) P-C4' energy: -129.115
flat angles C4'-P-C4' energy: -136.143
flat angles P-C4'-P energy: -82.558
tors. eta vs tors. theta energy: -132.750
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: 1, replica: 9
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -2839.753030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2839.753030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2842.402392 (E_RNA)
where:
Base-Base interactions energy: -1975.951
where: short stacking energy: -837.354
Base-Backbone interact. energy: -1.126
local terms energy: -865.324582
where:
bonds (distance) C4'-P energy: -156.787
bonds (distance) P-C4' energy: -157.082
flat angles C4'-P-C4' energy: -185.108
flat angles P-C4'-P energy: -113.719
tors. eta vs tors. theta energy: -252.628
Dist. restrs. and SS energy: 2.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -2640.371211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.371211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.971714 (E_RNA)
where:
Base-Base interactions energy: -1802.242
where: short stacking energy: -775.894
Base-Backbone interact. energy: -0.074
local terms energy: -839.655648
where:
bonds (distance) C4'-P energy: -167.884
bonds (distance) P-C4' energy: -155.207
flat angles C4'-P-C4' energy: -178.456
flat angles P-C4'-P energy: -122.365
tors. eta vs tors. theta energy: -215.744
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: 3, replica: 4
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -2546.797336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.797336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.192666 (E_RNA)
where:
Base-Base interactions energy: -1744.289
where: short stacking energy: -755.045
Base-Backbone interact. energy: -3.925
local terms energy: -799.978513
where:
bonds (distance) C4'-P energy: -151.041
bonds (distance) P-C4' energy: -150.675
flat angles C4'-P-C4' energy: -180.409
flat angles P-C4'-P energy: -103.659
tors. eta vs tors. theta energy: -214.194
Dist. restrs. and SS energy: 1.395 (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: 7
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -2406.640548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.640548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.074066 (E_RNA)
where:
Base-Base interactions energy: -1613.927
where: short stacking energy: -703.191
Base-Backbone interact. energy: -5.721
local terms energy: -788.425986
where:
bonds (distance) C4'-P energy: -162.464
bonds (distance) P-C4' energy: -133.206
flat angles C4'-P-C4' energy: -183.320
flat angles P-C4'-P energy: -115.990
tors. eta vs tors. theta energy: -193.446
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: 5, replica: 10
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -2260.683915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.683915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.610928 (E_RNA)
where:
Base-Base interactions energy: -1534.798
where: short stacking energy: -671.580
Base-Backbone interact. energy: 7.797
local terms energy: -735.609997
where:
bonds (distance) C4'-P energy: -139.735
bonds (distance) P-C4' energy: -149.283
flat angles C4'-P-C4' energy: -167.856
flat angles P-C4'-P energy: -106.984
tors. eta vs tors. theta energy: -171.751
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: 6, replica: 1
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -2140.779798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.779798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.823320 (E_RNA)
where:
Base-Base interactions energy: -1445.407
where: short stacking energy: -650.261
Base-Backbone interact. energy: -2.314
local terms energy: -694.102203
where:
bonds (distance) C4'-P energy: -123.500
bonds (distance) P-C4' energy: -149.721
flat angles C4'-P-C4' energy: -155.752
flat angles P-C4'-P energy: -97.414
tors. eta vs tors. theta energy: -167.715
Dist. restrs. and SS energy: 1.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -2083.211882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.211882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.453557 (E_RNA)
where:
Base-Base interactions energy: -1420.480
where: short stacking energy: -616.247
Base-Backbone interact. energy: -3.241
local terms energy: -662.732641
where:
bonds (distance) C4'-P energy: -124.949
bonds (distance) P-C4' energy: -142.746
flat angles C4'-P-C4' energy: -136.004
flat angles P-C4'-P energy: -95.419
tors. eta vs tors. theta energy: -163.614
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: 6
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -2024.629597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.629597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.309151 (E_RNA)
where:
Base-Base interactions energy: -1367.980
where: short stacking energy: -578.076
Base-Backbone interact. energy: 1.814
local terms energy: -662.143352
where:
bonds (distance) C4'-P energy: -135.072
bonds (distance) P-C4' energy: -148.713
flat angles C4'-P-C4' energy: -123.995
flat angles P-C4'-P energy: -107.056
tors. eta vs tors. theta energy: -147.307
Dist. restrs. and SS energy: 3.680 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -1957.709609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.709609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.509487 (E_RNA)
where:
Base-Base interactions energy: -1303.215
where: short stacking energy: -536.290
Base-Backbone interact. energy: -0.846
local terms energy: -656.448695
where:
bonds (distance) C4'-P energy: -157.736
bonds (distance) P-C4' energy: -140.149
flat angles C4'-P-C4' energy: -150.332
flat angles P-C4'-P energy: -70.466
tors. eta vs tors. theta energy: -137.766
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: 10, replica: 5
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -1912.850943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.850943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.477881 (E_RNA)
where:
Base-Base interactions energy: -1307.187
where: short stacking energy: -556.665
Base-Backbone interact. energy: 1.106
local terms energy: -609.396773
where:
bonds (distance) C4'-P energy: -127.983
bonds (distance) P-C4' energy: -115.251
flat angles C4'-P-C4' energy: -122.793
flat angles P-C4'-P energy: -90.226
tors. eta vs tors. theta energy: -153.144
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: 1, replica: 9
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -2841.979919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2841.979919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2844.720677 (E_RNA)
where:
Base-Base interactions energy: -1990.055
where: short stacking energy: -850.388
Base-Backbone interact. energy: -0.538
local terms energy: -854.128001
where:
bonds (distance) C4'-P energy: -150.588
bonds (distance) P-C4' energy: -156.564
flat angles C4'-P-C4' energy: -179.173
flat angles P-C4'-P energy: -121.563
tors. eta vs tors. theta energy: -246.240
Dist. restrs. and SS energy: 2.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -2642.698836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.698836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.247606 (E_RNA)
where:
Base-Base interactions energy: -1797.025
where: short stacking energy: -791.118
Base-Backbone interact. energy: 0.355
local terms energy: -847.577406
where:
bonds (distance) C4'-P energy: -158.306
bonds (distance) P-C4' energy: -149.696
flat angles C4'-P-C4' energy: -184.988
flat angles P-C4'-P energy: -133.147
tors. eta vs tors. theta energy: -221.441
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: 125
Temperature: 1.000000
Total energy: -2549.282164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.282164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.524712 (E_RNA)
where:
Base-Base interactions energy: -1723.942
where: short stacking energy: -704.315
Base-Backbone interact. energy: -4.698
local terms energy: -822.884934
where:
bonds (distance) C4'-P energy: -148.003
bonds (distance) P-C4' energy: -158.907
flat angles C4'-P-C4' energy: -191.282
flat angles P-C4'-P energy: -118.045
tors. eta vs tors. theta energy: -206.648
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: 7
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -2378.579688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.579688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.135210 (E_RNA)
where:
Base-Base interactions energy: -1562.571
where: short stacking energy: -677.064
Base-Backbone interact. energy: -4.653
local terms energy: -812.911270
where:
bonds (distance) C4'-P energy: -170.145
bonds (distance) P-C4' energy: -156.055
flat angles C4'-P-C4' energy: -171.951
flat angles P-C4'-P energy: -131.789
tors. eta vs tors. theta energy: -182.971
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: 5, replica: 10
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -2274.155405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.155405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.656367 (E_RNA)
where:
Base-Base interactions energy: -1546.024
where: short stacking energy: -673.344
Base-Backbone interact. energy: -3.969
local terms energy: -728.663395
where:
bonds (distance) C4'-P energy: -145.474
bonds (distance) P-C4' energy: -140.568
flat angles C4'-P-C4' energy: -166.050
flat angles P-C4'-P energy: -91.419
tors. eta vs tors. theta energy: -185.153
Dist. restrs. and SS energy: 4.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -2204.376644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.376644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.785999 (E_RNA)
where:
Base-Base interactions energy: -1469.949
where: short stacking energy: -639.001
Base-Backbone interact. energy: 2.886
local terms energy: -739.723439
where:
bonds (distance) C4'-P energy: -148.048
bonds (distance) P-C4' energy: -149.777
flat angles C4'-P-C4' energy: -167.118
flat angles P-C4'-P energy: -86.110
tors. eta vs tors. theta energy: -188.671
Dist. restrs. and SS energy: 2.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -2156.165370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.165370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.874433 (E_RNA)
where:
Base-Base interactions energy: -1484.135
where: short stacking energy: -634.354
Base-Backbone interact. energy: -0.224
local terms energy: -674.515351
where:
bonds (distance) C4'-P energy: -122.125
bonds (distance) P-C4' energy: -129.723
flat angles C4'-P-C4' energy: -150.610
flat angles P-C4'-P energy: -96.026
tors. eta vs tors. theta energy: -176.031
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: 6
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -2021.977643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.977643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.133974 (E_RNA)
where:
Base-Base interactions energy: -1328.836
where: short stacking energy: -561.454
Base-Backbone interact. energy: -2.477
local terms energy: -694.821047
where:
bonds (distance) C4'-P energy: -148.251
bonds (distance) P-C4' energy: -144.596
flat angles C4'-P-C4' energy: -162.327
flat angles P-C4'-P energy: -97.914
tors. eta vs tors. theta energy: -141.733
Dist. restrs. and SS energy: 4.156 (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: 8
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -1917.046953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.046953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.637380 (E_RNA)
where:
Base-Base interactions energy: -1303.338
where: short stacking energy: -569.732
Base-Backbone interact. energy: 4.987
local terms energy: -629.286080
where:
bonds (distance) C4'-P energy: -125.138
bonds (distance) P-C4' energy: -130.358
flat angles C4'-P-C4' energy: -144.366
flat angles P-C4'-P energy: -86.998
tors. eta vs tors. theta energy: -142.427
Dist. restrs. and SS energy: 10.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -1857.666967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.666967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.286541 (E_RNA)
where:
Base-Base interactions energy: -1243.769
where: short stacking energy: -503.217
Base-Backbone interact. energy: 1.809
local terms energy: -627.326786
where:
bonds (distance) C4'-P energy: -124.258
bonds (distance) P-C4' energy: -133.893
flat angles C4'-P-C4' energy: -151.291
flat angles P-C4'-P energy: -92.489
tors. eta vs tors. theta energy: -125.396
Dist. restrs. and SS energy: 11.620 (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: 126
Temperature: 0.900000
Total energy: -2841.835404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2841.835404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2845.529177 (E_RNA)
where:
Base-Base interactions energy: -1949.373
where: short stacking energy: -837.435
Base-Backbone interact. energy: -0.893
local terms energy: -895.263574
where:
bonds (distance) C4'-P energy: -165.946
bonds (distance) P-C4' energy: -166.418
flat angles C4'-P-C4' energy: -189.132
flat angles P-C4'-P energy: -121.899
tors. eta vs tors. theta energy: -251.868
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: 2, replica: 2
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -2633.008591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.008591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.003403 (E_RNA)
where:
Base-Base interactions energy: -1802.605
where: short stacking energy: -784.091
Base-Backbone interact. energy: 3.691
local terms energy: -835.088822
where:
bonds (distance) C4'-P energy: -161.894
bonds (distance) P-C4' energy: -153.022
flat angles C4'-P-C4' energy: -183.280
flat angles P-C4'-P energy: -116.161
tors. eta vs tors. theta energy: -220.732
Dist. restrs. and SS energy: 0.995 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -2551.684255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.684255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.803966 (E_RNA)
where:
Base-Base interactions energy: -1752.857
where: short stacking energy: -735.850
Base-Backbone interact. energy: -2.988
local terms energy: -797.958769
where:
bonds (distance) C4'-P energy: -153.248
bonds (distance) P-C4' energy: -143.871
flat angles C4'-P-C4' energy: -176.337
flat angles P-C4'-P energy: -110.975
tors. eta vs tors. theta energy: -213.527
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: 4, replica: 7
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -2368.219777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.219777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.199821 (E_RNA)
where:
Base-Base interactions energy: -1612.762
where: short stacking energy: -677.153
Base-Backbone interact. energy: -2.317
local terms energy: -755.121668
where:
bonds (distance) C4'-P energy: -118.875
bonds (distance) P-C4' energy: -141.187
flat angles C4'-P-C4' energy: -189.731
flat angles P-C4'-P energy: -108.735
tors. eta vs tors. theta energy: -196.594
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: 5, replica: 10
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -2343.879964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.879964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.730511 (E_RNA)
where:
Base-Base interactions energy: -1602.940
where: short stacking energy: -682.537
Base-Backbone interact. energy: -1.236
local terms energy: -741.553743
where:
bonds (distance) C4'-P energy: -145.391
bonds (distance) P-C4' energy: -133.295
flat angles C4'-P-C4' energy: -162.445
flat angles P-C4'-P energy: -99.976
tors. eta vs tors. theta energy: -200.447
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: 6, replica: 1
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -2188.763667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.763667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.100623 (E_RNA)
where:
Base-Base interactions energy: -1481.621
where: short stacking energy: -644.206
Base-Backbone interact. energy: -2.656
local terms energy: -706.822891
where:
bonds (distance) C4'-P energy: -137.327
bonds (distance) P-C4' energy: -146.133
flat angles C4'-P-C4' energy: -151.826
flat angles P-C4'-P energy: -89.178
tors. eta vs tors. theta energy: -182.359
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: 7, replica: 3
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -2097.799433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.799433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.569494 (E_RNA)
where:
Base-Base interactions energy: -1450.942
where: short stacking energy: -609.811
Base-Backbone interact. energy: -3.312
local terms energy: -646.315980
where:
bonds (distance) C4'-P energy: -130.394
bonds (distance) P-C4' energy: -120.418
flat angles C4'-P-C4' energy: -141.360
flat angles P-C4'-P energy: -93.800
tors. eta vs tors. theta energy: -160.345
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: 8, replica: 6
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -1996.733973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.733973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.677005 (E_RNA)
where:
Base-Base interactions energy: -1354.183
where: short stacking energy: -580.503
Base-Backbone interact. energy: 2.835
local terms energy: -648.329157
where:
bonds (distance) C4'-P energy: -124.871
bonds (distance) P-C4' energy: -134.553
flat angles C4'-P-C4' energy: -153.821
flat angles P-C4'-P energy: -93.789
tors. eta vs tors. theta energy: -141.296
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: 9, replica: 8
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -1936.313012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.313012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.033857 (E_RNA)
where:
Base-Base interactions energy: -1319.138
where: short stacking energy: -559.411
Base-Backbone interact. energy: 3.285
local terms energy: -623.180029
where:
bonds (distance) C4'-P energy: -118.478
bonds (distance) P-C4' energy: -138.026
flat angles C4'-P-C4' energy: -167.281
flat angles P-C4'-P energy: -74.067
tors. eta vs tors. theta energy: -125.329
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: 5
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -1843.848114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.848114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.380588 (E_RNA)
where:
Base-Base interactions energy: -1262.714
where: short stacking energy: -502.502
Base-Backbone interact. energy: -2.905
local terms energy: -581.761498
where:
bonds (distance) C4'-P energy: -105.996
bonds (distance) P-C4' energy: -132.671
flat angles C4'-P-C4' energy: -115.955
flat angles P-C4'-P energy: -97.513
tors. eta vs tors. theta energy: -129.627
Dist. restrs. and SS energy: 3.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -2846.217413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2846.217413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2849.084344 (E_RNA)
where:
Base-Base interactions energy: -1953.816
where: short stacking energy: -840.392
Base-Backbone interact. energy: -2.781
local terms energy: -892.487648
where:
bonds (distance) C4'-P energy: -169.433
bonds (distance) P-C4' energy: -158.828
flat angles C4'-P-C4' energy: -189.117
flat angles P-C4'-P energy: -127.109
tors. eta vs tors. theta energy: -248.000
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: 2, replica: 2
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -2677.463221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.463221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.554916 (E_RNA)
where:
Base-Base interactions energy: -1804.346
where: short stacking energy: -815.536
Base-Backbone interact. energy: -4.006
local terms energy: -870.202638
where:
bonds (distance) C4'-P energy: -157.024
bonds (distance) P-C4' energy: -154.080
flat angles C4'-P-C4' energy: -188.772
flat angles P-C4'-P energy: -128.419
tors. eta vs tors. theta energy: -241.908
Dist. restrs. and SS energy: 1.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -2526.518556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.518556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.861823 (E_RNA)
where:
Base-Base interactions energy: -1729.601
where: short stacking energy: -735.968
Base-Backbone interact. energy: -2.724
local terms energy: -795.536530
where:
bonds (distance) C4'-P energy: -154.385
bonds (distance) P-C4' energy: -136.594
flat angles C4'-P-C4' energy: -180.543
flat angles P-C4'-P energy: -105.934
tors. eta vs tors. theta energy: -218.080
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: 4, replica: 7
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -2384.072207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.072207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.130606 (E_RNA)
where:
Base-Base interactions energy: -1614.737
where: short stacking energy: -708.475
Base-Backbone interact. energy: -3.673
local terms energy: -767.721163
where:
bonds (distance) C4'-P energy: -128.027
bonds (distance) P-C4' energy: -160.099
flat angles C4'-P-C4' energy: -166.237
flat angles P-C4'-P energy: -115.094
tors. eta vs tors. theta energy: -198.264
Dist. restrs. and SS energy: 2.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -2296.107210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.107210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.339430 (E_RNA)
where:
Base-Base interactions energy: -1574.183
where: short stacking energy: -673.153
Base-Backbone interact. energy: -2.863
local terms energy: -720.294017
where:
bonds (distance) C4'-P energy: -130.984
bonds (distance) P-C4' energy: -132.717
flat angles C4'-P-C4' energy: -163.198
flat angles P-C4'-P energy: -96.453
tors. eta vs tors. theta energy: -196.942
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: 6, replica: 1
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -2163.831854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.831854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.255150 (E_RNA)
where:
Base-Base interactions energy: -1434.591
where: short stacking energy: -648.608
Base-Backbone interact. energy: -2.468
local terms energy: -730.196420
where:
bonds (distance) C4'-P energy: -131.813
bonds (distance) P-C4' energy: -132.484
flat angles C4'-P-C4' energy: -165.460
flat angles P-C4'-P energy: -121.206
tors. eta vs tors. theta energy: -179.233
Dist. restrs. and SS energy: 3.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -2092.075948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.075948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.844952 (E_RNA)
where:
Base-Base interactions energy: -1419.053
where: short stacking energy: -600.070
Base-Backbone interact. energy: -0.098
local terms energy: -674.694158
where:
bonds (distance) C4'-P energy: -143.176
bonds (distance) P-C4' energy: -151.362
flat angles C4'-P-C4' energy: -152.192
flat angles P-C4'-P energy: -85.968
tors. eta vs tors. theta energy: -141.997
Dist. restrs. and SS energy: 1.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -2018.964301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.964301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.174232 (E_RNA)
where:
Base-Base interactions energy: -1358.739
where: short stacking energy: -560.383
Base-Backbone interact. energy: -1.631
local terms energy: -661.804262
where:
bonds (distance) C4'-P energy: -128.672
bonds (distance) P-C4' energy: -133.241
flat angles C4'-P-C4' energy: -159.934
flat angles P-C4'-P energy: -93.914
tors. eta vs tors. theta energy: -146.044
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: 9, replica: 6
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -1886.349054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.349054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.284511 (E_RNA)
where:
Base-Base interactions energy: -1287.447
where: short stacking energy: -541.661
Base-Backbone interact. energy: 0.740
local terms energy: -602.577789
where:
bonds (distance) C4'-P energy: -135.930
bonds (distance) P-C4' energy: -125.455
flat angles C4'-P-C4' energy: -130.742
flat angles P-C4'-P energy: -83.276
tors. eta vs tors. theta energy: -127.175
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: 10, replica: 5
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -1846.580603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.580603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.891775 (E_RNA)
where:
Base-Base interactions energy: -1256.720
where: short stacking energy: -537.875
Base-Backbone interact. energy: -0.611
local terms energy: -601.560086
where:
bonds (distance) C4'-P energy: -118.636
bonds (distance) P-C4' energy: -142.394
flat angles C4'-P-C4' energy: -136.852
flat angles P-C4'-P energy: -82.703
tors. eta vs tors. theta energy: -120.976
Dist. restrs. and SS energy: 12.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -2875.209061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2875.209061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2877.060065 (E_RNA)
where:
Base-Base interactions energy: -1982.955
where: short stacking energy: -842.940
Base-Backbone interact. energy: -0.161
local terms energy: -893.944069
where:
bonds (distance) C4'-P energy: -162.129
bonds (distance) P-C4' energy: -165.615
flat angles C4'-P-C4' energy: -196.033
flat angles P-C4'-P energy: -115.664
tors. eta vs tors. theta energy: -254.504
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: 2
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -2626.578204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.578204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.541253 (E_RNA)
where:
Base-Base interactions energy: -1781.029
where: short stacking energy: -788.845
Base-Backbone interact. energy: -4.204
local terms energy: -844.308633
where:
bonds (distance) C4'-P energy: -156.236
bonds (distance) P-C4' energy: -168.228
flat angles C4'-P-C4' energy: -177.102
flat angles P-C4'-P energy: -117.765
tors. eta vs tors. theta energy: -224.978
Dist. restrs. and SS energy: 2.963 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -2545.886853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.886853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.355640 (E_RNA)
where:
Base-Base interactions energy: -1766.335
where: short stacking energy: -757.177
Base-Backbone interact. energy: -1.852
local terms energy: -779.168205
where:
bonds (distance) C4'-P energy: -141.516
bonds (distance) P-C4' energy: -155.119
flat angles C4'-P-C4' energy: -144.045
flat angles P-C4'-P energy: -116.665
tors. eta vs tors. theta energy: -221.823
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: 7
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -2433.361771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.361771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.156583 (E_RNA)
where:
Base-Base interactions energy: -1622.828
where: short stacking energy: -682.311
Base-Backbone interact. energy: -5.712
local terms energy: -806.616957
where:
bonds (distance) C4'-P energy: -161.466
bonds (distance) P-C4' energy: -165.434
flat angles C4'-P-C4' energy: -188.496
flat angles P-C4'-P energy: -95.047
tors. eta vs tors. theta energy: -196.173
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: 5, replica: 10
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -2354.260699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.260699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.529761 (E_RNA)
where:
Base-Base interactions energy: -1583.428
where: short stacking energy: -670.176
Base-Backbone interact. energy: -3.501
local terms energy: -768.600872
where:
bonds (distance) C4'-P energy: -140.410
bonds (distance) P-C4' energy: -143.872
flat angles C4'-P-C4' energy: -163.908
flat angles P-C4'-P energy: -120.264
tors. eta vs tors. theta energy: -200.146
Dist. restrs. and SS energy: 1.269 (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: 1
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -2157.411386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.411386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.443791 (E_RNA)
where:
Base-Base interactions energy: -1448.637
where: short stacking energy: -626.763
Base-Backbone interact. energy: 1.960
local terms energy: -712.767510
where:
bonds (distance) C4'-P energy: -136.956
bonds (distance) P-C4' energy: -142.362
flat angles C4'-P-C4' energy: -163.312
flat angles P-C4'-P energy: -101.088
tors. eta vs tors. theta energy: -169.050
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: 7, replica: 8
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -2142.233994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.233994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.178918 (E_RNA)
where:
Base-Base interactions energy: -1457.860
where: short stacking energy: -608.996
Base-Backbone interact. energy: -0.336
local terms energy: -684.983309
where:
bonds (distance) C4'-P energy: -144.400
bonds (distance) P-C4' energy: -134.183
flat angles C4'-P-C4' energy: -152.458
flat angles P-C4'-P energy: -84.459
tors. eta vs tors. theta energy: -169.484
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: 8, replica: 3
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -1992.487957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.487957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.603886 (E_RNA)
where:
Base-Base interactions energy: -1322.600
where: short stacking energy: -536.730
Base-Backbone interact. energy: 5.735
local terms energy: -678.738892
where:
bonds (distance) C4'-P energy: -140.009
bonds (distance) P-C4' energy: -140.234
flat angles C4'-P-C4' energy: -149.299
flat angles P-C4'-P energy: -106.351
tors. eta vs tors. theta energy: -142.846
Dist. restrs. and SS energy: 3.116 (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: 5
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -1935.621537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.621537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.597161 (E_RNA)
where:
Base-Base interactions energy: -1353.715
where: short stacking energy: -547.776
Base-Backbone interact. energy: -1.371
local terms energy: -582.510969
where:
bonds (distance) C4'-P energy: -99.372
bonds (distance) P-C4' energy: -127.586
flat angles C4'-P-C4' energy: -130.268
flat angles P-C4'-P energy: -90.934
tors. eta vs tors. theta energy: -134.350
Dist. restrs. and SS energy: 1.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -1888.400707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.400707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.046325 (E_RNA)
where:
Base-Base interactions energy: -1309.203
where: short stacking energy: -550.758
Base-Backbone interact. energy: 3.802
local terms energy: -585.645238
where:
bonds (distance) C4'-P energy: -120.954
bonds (distance) P-C4' energy: -104.897
flat angles C4'-P-C4' energy: -137.428
flat angles P-C4'-P energy: -83.197
tors. eta vs tors. theta energy: -139.170
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: 1, replica: 9
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -2864.094029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2864.094029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2866.411138 (E_RNA)
where:
Base-Base interactions energy: -1976.468
where: short stacking energy: -832.272
Base-Backbone interact. energy: -0.829
local terms energy: -889.114606
where:
bonds (distance) C4'-P energy: -162.815
bonds (distance) P-C4' energy: -166.893
flat angles C4'-P-C4' energy: -195.616
flat angles P-C4'-P energy: -119.189
tors. eta vs tors. theta energy: -244.602
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: 2
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -2686.722692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.722692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.257257 (E_RNA)
where:
Base-Base interactions energy: -1814.769
where: short stacking energy: -808.482
Base-Backbone interact. energy: -1.103
local terms energy: -872.386190
where:
bonds (distance) C4'-P energy: -168.437
bonds (distance) P-C4' energy: -178.018
flat angles C4'-P-C4' energy: -186.053
flat angles P-C4'-P energy: -114.356
tors. eta vs tors. theta energy: -225.522
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: 3, replica: 4
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -2573.777780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.777780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.943632 (E_RNA)
where:
Base-Base interactions energy: -1791.076
where: short stacking energy: -744.330
Base-Backbone interact. energy: -3.569
local terms energy: -780.298063
where:
bonds (distance) C4'-P energy: -137.449
bonds (distance) P-C4' energy: -147.396
flat angles C4'-P-C4' energy: -180.650
flat angles P-C4'-P energy: -114.519
tors. eta vs tors. theta energy: -200.284
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: 4, replica: 7
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -2423.510363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.510363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.634576 (E_RNA)
where:
Base-Base interactions energy: -1664.071
where: short stacking energy: -716.744
Base-Backbone interact. energy: -0.150
local terms energy: -761.414137
where:
bonds (distance) C4'-P energy: -154.761
bonds (distance) P-C4' energy: -148.073
flat angles C4'-P-C4' energy: -151.932
flat angles P-C4'-P energy: -100.752
tors. eta vs tors. theta energy: -205.895
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: 5, replica: 10
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -2354.397099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.397099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.175665 (E_RNA)
where:
Base-Base interactions energy: -1595.795
where: short stacking energy: -710.313
Base-Backbone interact. energy: -1.965
local terms energy: -758.415930
where:
bonds (distance) C4'-P energy: -125.363
bonds (distance) P-C4' energy: -141.360
flat angles C4'-P-C4' energy: -175.074
flat angles P-C4'-P energy: -112.947
tors. eta vs tors. theta energy: -203.671
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: 1
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -2180.368680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.368680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.770127 (E_RNA)
where:
Base-Base interactions energy: -1467.440
where: short stacking energy: -642.345
Base-Backbone interact. energy: 3.980
local terms energy: -719.310402
where:
bonds (distance) C4'-P energy: -133.173
bonds (distance) P-C4' energy: -149.282
flat angles C4'-P-C4' energy: -151.642
flat angles P-C4'-P energy: -110.101
tors. eta vs tors. theta energy: -175.113
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: 7, replica: 8
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -2134.489005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.489005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.064353 (E_RNA)
where:
Base-Base interactions energy: -1469.049
where: short stacking energy: -639.484
Base-Backbone interact. energy: 7.680
local terms energy: -674.695457
where:
bonds (distance) C4'-P energy: -148.257
bonds (distance) P-C4' energy: -135.869
flat angles C4'-P-C4' energy: -128.555
flat angles P-C4'-P energy: -99.890
tors. eta vs tors. theta energy: -162.124
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: 8, replica: 5
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -2004.149097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.149097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.918562 (E_RNA)
where:
Base-Base interactions energy: -1373.423
where: short stacking energy: -579.405
Base-Backbone interact. energy: 0.817
local terms energy: -635.311876
where:
bonds (distance) C4'-P energy: -134.852
bonds (distance) P-C4' energy: -122.112
flat angles C4'-P-C4' energy: -141.757
flat angles P-C4'-P energy: -101.443
tors. eta vs tors. theta energy: -135.148
Dist. restrs. and SS energy: 3.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -1940.104573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.104573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.812098 (E_RNA)
where:
Base-Base interactions energy: -1314.081
where: short stacking energy: -535.117
Base-Backbone interact. energy: 1.597
local terms energy: -629.328007
where:
bonds (distance) C4'-P energy: -141.259
bonds (distance) P-C4' energy: -127.149
flat angles C4'-P-C4' energy: -131.660
flat angles P-C4'-P energy: -84.652
tors. eta vs tors. theta energy: -144.608
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: 10, replica: 6
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -1855.692491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.692491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.924892 (E_RNA)
where:
Base-Base interactions energy: -1264.244
where: short stacking energy: -507.341
Base-Backbone interact. energy: -1.206
local terms energy: -593.475260
where:
bonds (distance) C4'-P energy: -111.070
bonds (distance) P-C4' energy: -115.401
flat angles C4'-P-C4' energy: -136.858
flat angles P-C4'-P energy: -81.303
tors. eta vs tors. theta energy: -148.843
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: 1, replica: 9
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -2866.625279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2866.625279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2868.346098 (E_RNA)
where:
Base-Base interactions energy: -1959.748
where: short stacking energy: -840.884
Base-Backbone interact. energy: -1.652
local terms energy: -906.946436
where:
bonds (distance) C4'-P energy: -159.585
bonds (distance) P-C4' energy: -160.265
flat angles C4'-P-C4' energy: -195.850
flat angles P-C4'-P energy: -133.891
tors. eta vs tors. theta energy: -257.354
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: 2, replica: 2
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -2683.922154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.922154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.365007 (E_RNA)
where:
Base-Base interactions energy: -1844.343
where: short stacking energy: -808.048
Base-Backbone interact. energy: 5.644
local terms energy: -846.665654
where:
bonds (distance) C4'-P energy: -148.387
bonds (distance) P-C4' energy: -148.670
flat angles C4'-P-C4' energy: -179.614
flat angles P-C4'-P energy: -128.059
tors. eta vs tors. theta energy: -241.936
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: 3, replica: 4
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -2594.838121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.838121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.338592 (E_RNA)
where:
Base-Base interactions energy: -1776.896
where: short stacking energy: -729.067
Base-Backbone interact. energy: -1.609
local terms energy: -817.832991
where:
bonds (distance) C4'-P energy: -146.964
bonds (distance) P-C4' energy: -170.303
flat angles C4'-P-C4' energy: -173.769
flat angles P-C4'-P energy: -121.082
tors. eta vs tors. theta energy: -205.715
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: 4, replica: 7
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -2444.067206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.067206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.271584 (E_RNA)
where:
Base-Base interactions energy: -1656.758
where: short stacking energy: -714.567
Base-Backbone interact. energy: -0.049
local terms energy: -789.464953
where:
bonds (distance) C4'-P energy: -121.676
bonds (distance) P-C4' energy: -140.257
flat angles C4'-P-C4' energy: -195.234
flat angles P-C4'-P energy: -119.948
tors. eta vs tors. theta energy: -212.349
Dist. restrs. and SS energy: 2.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -2352.823980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.823980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.849970 (E_RNA)
where:
Base-Base interactions energy: -1573.463
where: short stacking energy: -643.116
Base-Backbone interact. energy: -2.828
local terms energy: -778.558866
where:
bonds (distance) C4'-P energy: -159.587
bonds (distance) P-C4' energy: -155.733
flat angles C4'-P-C4' energy: -165.577
flat angles P-C4'-P energy: -99.342
tors. eta vs tors. theta energy: -198.320
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: 6, replica: 1
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -2165.221731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.221731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.921738 (E_RNA)
where:
Base-Base interactions energy: -1455.721
where: short stacking energy: -636.490
Base-Backbone interact. energy: -5.787
local terms energy: -706.413467
where:
bonds (distance) C4'-P energy: -126.184
bonds (distance) P-C4' energy: -148.090
flat angles C4'-P-C4' energy: -150.814
flat angles P-C4'-P energy: -100.238
tors. eta vs tors. theta energy: -181.088
Dist. restrs. and SS energy: 2.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -2065.606137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.606137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.667537 (E_RNA)
where:
Base-Base interactions energy: -1391.428
where: short stacking energy: -588.771
Base-Backbone interact. energy: 10.900
local terms energy: -687.139871
where:
bonds (distance) C4'-P energy: -151.520
bonds (distance) P-C4' energy: -147.449
flat angles C4'-P-C4' energy: -146.784
flat angles P-C4'-P energy: -93.204
tors. eta vs tors. theta energy: -148.184
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: 8, replica: 5
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -1922.796230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.796230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.219189 (E_RNA)
where:
Base-Base interactions energy: -1278.904
where: short stacking energy: -560.566
Base-Backbone interact. energy: 0.542
local terms energy: -648.857218
where:
bonds (distance) C4'-P energy: -145.110
bonds (distance) P-C4' energy: -114.409
flat angles C4'-P-C4' energy: -164.498
flat angles P-C4'-P energy: -76.658
tors. eta vs tors. theta energy: -148.183
Dist. restrs. and SS energy: 4.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -1937.585767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.585767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.180531 (E_RNA)
where:
Base-Base interactions energy: -1313.604
where: short stacking energy: -546.830
Base-Backbone interact. energy: -2.720
local terms energy: -622.856414
where:
bonds (distance) C4'-P energy: -122.936
bonds (distance) P-C4' energy: -126.471
flat angles C4'-P-C4' energy: -134.380
flat angles P-C4'-P energy: -85.304
tors. eta vs tors. theta energy: -153.766
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: 10, replica: 3
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -1868.367525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.367525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.944831 (E_RNA)
where:
Base-Base interactions energy: -1299.816
where: short stacking energy: -551.947
Base-Backbone interact. energy: 0.435
local terms energy: -570.563947
where:
bonds (distance) C4'-P energy: -111.156
bonds (distance) P-C4' energy: -141.098
flat angles C4'-P-C4' energy: -119.722
flat angles P-C4'-P energy: -62.438
tors. eta vs tors. theta energy: -136.149
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: 1, replica: 9
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -2874.595952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2874.595952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2876.752478 (E_RNA)
where:
Base-Base interactions energy: -1978.752
where: short stacking energy: -831.190
Base-Backbone interact. energy: -2.377
local terms energy: -895.623602
where:
bonds (distance) C4'-P energy: -170.903
bonds (distance) P-C4' energy: -156.159
flat angles C4'-P-C4' energy: -197.333
flat angles P-C4'-P energy: -127.544
tors. eta vs tors. theta energy: -243.683
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: 2, replica: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -2646.201146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.201146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.798629 (E_RNA)
where:
Base-Base interactions energy: -1801.254
where: short stacking energy: -796.315
Base-Backbone interact. energy: 3.514
local terms energy: -850.058290
where:
bonds (distance) C4'-P energy: -153.631
bonds (distance) P-C4' energy: -165.303
flat angles C4'-P-C4' energy: -187.041
flat angles P-C4'-P energy: -120.282
tors. eta vs tors. theta energy: -223.801
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: 3, replica: 4
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -2571.845236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.845236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.314144 (E_RNA)
where:
Base-Base interactions energy: -1751.180
where: short stacking energy: -771.079
Base-Backbone interact. energy: -1.512
local terms energy: -820.621886
where:
bonds (distance) C4'-P energy: -153.441
bonds (distance) P-C4' energy: -174.963
flat angles C4'-P-C4' energy: -170.535
flat angles P-C4'-P energy: -114.206
tors. eta vs tors. theta energy: -207.477
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: 7
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -2476.275361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.275361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.315699 (E_RNA)
where:
Base-Base interactions energy: -1694.385
where: short stacking energy: -700.670
Base-Backbone interact. energy: -2.763
local terms energy: -781.167824
where:
bonds (distance) C4'-P energy: -143.351
bonds (distance) P-C4' energy: -129.060
flat angles C4'-P-C4' energy: -185.318
flat angles P-C4'-P energy: -118.046
tors. eta vs tors. theta energy: -205.394
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: 5, replica: 10
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -2372.732726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.732726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.269677 (E_RNA)
where:
Base-Base interactions energy: -1615.754
where: short stacking energy: -695.690
Base-Backbone interact. energy: -0.626
local terms energy: -758.889081
where:
bonds (distance) C4'-P energy: -131.427
bonds (distance) P-C4' energy: -152.949
flat angles C4'-P-C4' energy: -164.080
flat angles P-C4'-P energy: -108.351
tors. eta vs tors. theta energy: -202.082
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: 6, replica: 1
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -2163.848435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.848435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.118754 (E_RNA)
where:
Base-Base interactions energy: -1436.583
where: short stacking energy: -613.374
Base-Backbone interact. energy: -4.598
local terms energy: -725.938298
where:
bonds (distance) C4'-P energy: -131.632
bonds (distance) P-C4' energy: -146.983
flat angles C4'-P-C4' energy: -162.835
flat angles P-C4'-P energy: -124.184
tors. eta vs tors. theta energy: -160.304
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: 7, replica: 8
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -2101.953021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.953021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.070073 (E_RNA)
where:
Base-Base interactions energy: -1420.267
where: short stacking energy: -620.572
Base-Backbone interact. energy: 0.900
local terms energy: -684.703247
where:
bonds (distance) C4'-P energy: -145.462
bonds (distance) P-C4' energy: -130.675
flat angles C4'-P-C4' energy: -152.523
flat angles P-C4'-P energy: -83.486
tors. eta vs tors. theta energy: -172.557
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: 8, replica: 6
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -2013.370835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.370835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.812469 (E_RNA)
where:
Base-Base interactions energy: -1358.387
where: short stacking energy: -568.610
Base-Backbone interact. energy: 0.758
local terms energy: -658.182781
where:
bonds (distance) C4'-P energy: -137.859
bonds (distance) P-C4' energy: -127.285
flat angles C4'-P-C4' energy: -144.598
flat angles P-C4'-P energy: -98.321
tors. eta vs tors. theta energy: -150.120
Dist. restrs. and SS energy: 2.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -1900.915795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.915795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.074490 (E_RNA)
where:
Base-Base interactions energy: -1294.717
where: short stacking energy: -532.486
Base-Backbone interact. energy: 3.634
local terms energy: -612.991209
where:
bonds (distance) C4'-P energy: -129.809
bonds (distance) P-C4' energy: -118.328
flat angles C4'-P-C4' energy: -146.761
flat angles P-C4'-P energy: -74.885
tors. eta vs tors. theta energy: -143.208
Dist. restrs. and SS energy: 3.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -1901.277676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.277676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.777526 (E_RNA)
where:
Base-Base interactions energy: -1328.635
where: short stacking energy: -544.515
Base-Backbone interact. energy: -1.727
local terms energy: -575.416039
where:
bonds (distance) C4'-P energy: -124.530
bonds (distance) P-C4' energy: -120.540
flat angles C4'-P-C4' energy: -142.239
flat angles P-C4'-P energy: -51.422
tors. eta vs tors. theta energy: -136.686
Dist. restrs. and SS energy: 4.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -2894.670757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2894.670757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2897.405680 (E_RNA)
where:
Base-Base interactions energy: -2013.410
where: short stacking energy: -849.967
Base-Backbone interact. energy: -0.374
local terms energy: -883.621219
where:
bonds (distance) C4'-P energy: -154.687
bonds (distance) P-C4' energy: -158.479
flat angles C4'-P-C4' energy: -195.626
flat angles P-C4'-P energy: -126.904
tors. eta vs tors. theta energy: -247.925
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: 2, replica: 2
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -2634.403954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.403954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.596297 (E_RNA)
where:
Base-Base interactions energy: -1794.221
where: short stacking energy: -773.719
Base-Backbone interact. energy: 2.160
local terms energy: -843.535545
where:
bonds (distance) C4'-P energy: -168.133
bonds (distance) P-C4' energy: -157.205
flat angles C4'-P-C4' energy: -191.024
flat angles P-C4'-P energy: -111.546
tors. eta vs tors. theta energy: -215.626
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: 132
Temperature: 1.000000
Total energy: -2536.105965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.105965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.033198 (E_RNA)
where:
Base-Base interactions energy: -1731.267
where: short stacking energy: -760.959
Base-Backbone interact. energy: 0.116
local terms energy: -806.882499
where:
bonds (distance) C4'-P energy: -139.819
bonds (distance) P-C4' energy: -158.023
flat angles C4'-P-C4' energy: -165.181
flat angles P-C4'-P energy: -118.393
tors. eta vs tors. theta energy: -225.466
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: 4, replica: 7
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -2459.260162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.260162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.688809 (E_RNA)
where:
Base-Base interactions energy: -1643.507
where: short stacking energy: -696.738
Base-Backbone interact. energy: -1.770
local terms energy: -815.412727
where:
bonds (distance) C4'-P energy: -149.017
bonds (distance) P-C4' energy: -149.807
flat angles C4'-P-C4' energy: -186.578
flat angles P-C4'-P energy: -121.330
tors. eta vs tors. theta energy: -208.681
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: 10
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -2410.986114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.986114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.863474 (E_RNA)
where:
Base-Base interactions energy: -1640.537
where: short stacking energy: -667.044
Base-Backbone interact. energy: -3.761
local terms energy: -768.564950
where:
bonds (distance) C4'-P energy: -146.788
bonds (distance) P-C4' energy: -145.770
flat angles C4'-P-C4' energy: -173.194
flat angles P-C4'-P energy: -104.027
tors. eta vs tors. theta energy: -198.785
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: 6, replica: 1
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -2161.587969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.587969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.486755 (E_RNA)
where:
Base-Base interactions energy: -1415.388
where: short stacking energy: -604.822
Base-Backbone interact. energy: 3.685
local terms energy: -751.783745
where:
bonds (distance) C4'-P energy: -130.698
bonds (distance) P-C4' energy: -166.060
flat angles C4'-P-C4' energy: -177.213
flat angles P-C4'-P energy: -105.431
tors. eta vs tors. theta energy: -172.381
Dist. restrs. and SS energy: 1.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -2198.400718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.400718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.960940 (E_RNA)
where:
Base-Base interactions energy: -1494.325
where: short stacking energy: -646.259
Base-Backbone interact. energy: -1.734
local terms energy: -704.902143
where:
bonds (distance) C4'-P energy: -136.661
bonds (distance) P-C4' energy: -132.257
flat angles C4'-P-C4' energy: -167.510
flat angles P-C4'-P energy: -92.113
tors. eta vs tors. theta energy: -176.361
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: 8, replica: 6
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -1998.139084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.139084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.110703 (E_RNA)
where:
Base-Base interactions energy: -1337.391
where: short stacking energy: -541.211
Base-Backbone interact. energy: 1.570
local terms energy: -664.289073
where:
bonds (distance) C4'-P energy: -139.707
bonds (distance) P-C4' energy: -138.134
flat angles C4'-P-C4' energy: -139.037
flat angles P-C4'-P energy: -98.487
tors. eta vs tors. theta energy: -148.924
Dist. restrs. and SS energy: 1.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -1908.172967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.172967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.519586 (E_RNA)
where:
Base-Base interactions energy: -1306.166
where: short stacking energy: -545.826
Base-Backbone interact. energy: -1.045
local terms energy: -605.308062
where:
bonds (distance) C4'-P energy: -107.166
bonds (distance) P-C4' energy: -141.603
flat angles C4'-P-C4' energy: -123.406
flat angles P-C4'-P energy: -92.028
tors. eta vs tors. theta energy: -141.104
Dist. restrs. and SS energy: 4.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -1897.159928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.159928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.730265 (E_RNA)
where:
Base-Base interactions energy: -1320.193
where: short stacking energy: -545.258
Base-Backbone interact. energy: -1.127
local terms energy: -580.409907
where:
bonds (distance) C4'-P energy: -111.068
bonds (distance) P-C4' energy: -123.989
flat angles C4'-P-C4' energy: -125.301
flat angles P-C4'-P energy: -81.118
tors. eta vs tors. theta energy: -138.934
Dist. restrs. and SS energy: 4.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -2887.046607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2887.046607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2889.276782 (E_RNA)
where:
Base-Base interactions energy: -1991.295
where: short stacking energy: -840.422
Base-Backbone interact. energy: -2.023
local terms energy: -895.958345
where:
bonds (distance) C4'-P energy: -161.815
bonds (distance) P-C4' energy: -170.749
flat angles C4'-P-C4' energy: -191.410
flat angles P-C4'-P energy: -125.028
tors. eta vs tors. theta energy: -246.957
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: 2, replica: 2
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -2638.381279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.381279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.416609 (E_RNA)
where:
Base-Base interactions energy: -1804.160
where: short stacking energy: -796.462
Base-Backbone interact. energy: 5.923
local terms energy: -841.180024
where:
bonds (distance) C4'-P energy: -165.941
bonds (distance) P-C4' energy: -146.198
flat angles C4'-P-C4' energy: -183.102
flat angles P-C4'-P energy: -116.475
tors. eta vs tors. theta energy: -229.463
Dist. restrs. and SS energy: 1.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -2541.434224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.434224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.859930 (E_RNA)
where:
Base-Base interactions energy: -1697.189
where: short stacking energy: -740.324
Base-Backbone interact. energy: -1.398
local terms energy: -845.272723
where:
bonds (distance) C4'-P energy: -168.291
bonds (distance) P-C4' energy: -157.519
flat angles C4'-P-C4' energy: -181.465
flat angles P-C4'-P energy: -120.154
tors. eta vs tors. theta energy: -217.843
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: 4, replica: 7
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -2511.385458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.385458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.714339 (E_RNA)
where:
Base-Base interactions energy: -1692.187
where: short stacking energy: -733.881
Base-Backbone interact. energy: -0.879
local terms energy: -821.648611
where:
bonds (distance) C4'-P energy: -146.945
bonds (distance) P-C4' energy: -154.120
flat angles C4'-P-C4' energy: -185.070
flat angles P-C4'-P energy: -123.890
tors. eta vs tors. theta energy: -211.624
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: 5, replica: 10
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -2461.384264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.384264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.057484 (E_RNA)
where:
Base-Base interactions energy: -1705.164
where: short stacking energy: -742.000
Base-Backbone interact. energy: -4.232
local terms energy: -753.661660
where:
bonds (distance) C4'-P energy: -130.603
bonds (distance) P-C4' energy: -144.646
flat angles C4'-P-C4' energy: -157.102
flat angles P-C4'-P energy: -113.531
tors. eta vs tors. theta energy: -207.780
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: 6, replica: 1
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -2155.039421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.039421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.962153 (E_RNA)
where:
Base-Base interactions energy: -1448.308
where: short stacking energy: -642.084
Base-Backbone interact. energy: -2.559
local terms energy: -707.094953
where:
bonds (distance) C4'-P energy: -146.672
bonds (distance) P-C4' energy: -125.889
flat angles C4'-P-C4' energy: -164.179
flat angles P-C4'-P energy: -104.834
tors. eta vs tors. theta energy: -165.520
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: 7, replica: 8
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -2141.558173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.558173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.851331 (E_RNA)
where:
Base-Base interactions energy: -1431.068
where: short stacking energy: -611.727
Base-Backbone interact. energy: -1.843
local terms energy: -709.940230
where:
bonds (distance) C4'-P energy: -150.640
bonds (distance) P-C4' energy: -139.014
flat angles C4'-P-C4' energy: -141.205
flat angles P-C4'-P energy: -99.677
tors. eta vs tors. theta energy: -179.404
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: 8, replica: 6
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -2009.192371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.192371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.071186 (E_RNA)
where:
Base-Base interactions energy: -1364.157
where: short stacking energy: -601.587
Base-Backbone interact. energy: -1.560
local terms energy: -645.353201
where:
bonds (distance) C4'-P energy: -119.753
bonds (distance) P-C4' energy: -150.947
flat angles C4'-P-C4' energy: -140.887
flat angles P-C4'-P energy: -82.549
tors. eta vs tors. theta energy: -151.217
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: 9, replica: 5
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -1908.788022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.788022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.778877 (E_RNA)
where:
Base-Base interactions energy: -1284.373
where: short stacking energy: -548.380
Base-Backbone interact. energy: 6.533
local terms energy: -640.938863
where:
bonds (distance) C4'-P energy: -131.879
bonds (distance) P-C4' energy: -125.472
flat angles C4'-P-C4' energy: -149.414
flat angles P-C4'-P energy: -102.700
tors. eta vs tors. theta energy: -131.473
Dist. restrs. and SS energy: 9.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -1868.882652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.882652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.441962 (E_RNA)
where:
Base-Base interactions energy: -1272.920
where: short stacking energy: -538.560
Base-Backbone interact. energy: 3.928
local terms energy: -602.449902
where:
bonds (distance) C4'-P energy: -113.867
bonds (distance) P-C4' energy: -134.166
flat angles C4'-P-C4' energy: -136.468
flat angles P-C4'-P energy: -76.160
tors. eta vs tors. theta energy: -141.789
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: 134
Temperature: 0.900000
Total energy: -2880.708994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2880.708994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2882.021513 (E_RNA)
where:
Base-Base interactions energy: -1960.471
where: short stacking energy: -825.564
Base-Backbone interact. energy: -4.283
local terms energy: -917.267669
where:
bonds (distance) C4'-P energy: -158.417
bonds (distance) P-C4' energy: -176.720
flat angles C4'-P-C4' energy: -194.484
flat angles P-C4'-P energy: -135.452
tors. eta vs tors. theta energy: -252.195
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: 2
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -2637.851004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.851004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.828771 (E_RNA)
where:
Base-Base interactions energy: -1800.779
where: short stacking energy: -775.920
Base-Backbone interact. energy: 4.981
local terms energy: -843.031273
where:
bonds (distance) C4'-P energy: -157.805
bonds (distance) P-C4' energy: -162.438
flat angles C4'-P-C4' energy: -181.110
flat angles P-C4'-P energy: -115.348
tors. eta vs tors. theta energy: -226.330
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: 3, replica: 4
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -2545.218209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.218209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.287972 (E_RNA)
where:
Base-Base interactions energy: -1758.341
where: short stacking energy: -757.881
Base-Backbone interact. energy: -5.140
local terms energy: -782.806854
where:
bonds (distance) C4'-P energy: -143.093
bonds (distance) P-C4' energy: -146.448
flat angles C4'-P-C4' energy: -164.751
flat angles P-C4'-P energy: -120.503
tors. eta vs tors. theta energy: -208.012
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: 4, replica: 7
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -2457.078234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.078234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.439077 (E_RNA)
where:
Base-Base interactions energy: -1676.275
where: short stacking energy: -722.729
Base-Backbone interact. energy: -2.371
local terms energy: -780.793487
where:
bonds (distance) C4'-P energy: -140.639
bonds (distance) P-C4' energy: -147.426
flat angles C4'-P-C4' energy: -179.477
flat angles P-C4'-P energy: -103.450
tors. eta vs tors. theta energy: -209.801
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: 5, replica: 10
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -2429.897827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.897827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.958370 (E_RNA)
where:
Base-Base interactions energy: -1661.149
where: short stacking energy: -704.113
Base-Backbone interact. energy: 1.334
local terms energy: -771.143432
where:
bonds (distance) C4'-P energy: -149.507
bonds (distance) P-C4' energy: -140.239
flat angles C4'-P-C4' energy: -167.811
flat angles P-C4'-P energy: -109.673
tors. eta vs tors. theta energy: -203.913
Dist. restrs. and SS energy: 1.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -2233.669876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.669876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.360128 (E_RNA)
where:
Base-Base interactions energy: -1499.362
where: short stacking energy: -669.689
Base-Backbone interact. energy: 1.724
local terms energy: -740.721779
where:
bonds (distance) C4'-P energy: -146.911
bonds (distance) P-C4' energy: -146.754
flat angles C4'-P-C4' energy: -149.377
flat angles P-C4'-P energy: -106.573
tors. eta vs tors. theta energy: -191.107
Dist. restrs. and SS energy: 4.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -2133.767005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.767005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.856072 (E_RNA)
where:
Base-Base interactions energy: -1441.003
where: short stacking energy: -608.206
Base-Backbone interact. energy: -2.074
local terms energy: -693.779622
where:
bonds (distance) C4'-P energy: -131.636
bonds (distance) P-C4' energy: -135.465
flat angles C4'-P-C4' energy: -155.858
flat angles P-C4'-P energy: -110.338
tors. eta vs tors. theta energy: -160.482
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: 8, replica: 6
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -2022.741342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.741342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.047951 (E_RNA)
where:
Base-Base interactions energy: -1366.730
where: short stacking energy: -588.695
Base-Backbone interact. energy: 4.865
local terms energy: -665.183586
where:
bonds (distance) C4'-P energy: -136.084
bonds (distance) P-C4' energy: -121.339
flat angles C4'-P-C4' energy: -143.869
flat angles P-C4'-P energy: -91.258
tors. eta vs tors. theta energy: -172.633
Dist. restrs. and SS energy: 4.307 (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: 3
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -1966.778404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.778404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.433336 (E_RNA)
where:
Base-Base interactions energy: -1343.793
where: short stacking energy: -549.940
Base-Backbone interact. energy: -0.748
local terms energy: -623.891597
where:
bonds (distance) C4'-P energy: -121.995
bonds (distance) P-C4' energy: -126.934
flat angles C4'-P-C4' energy: -158.450
flat angles P-C4'-P energy: -74.726
tors. eta vs tors. theta energy: -141.786
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: 10, replica: 5
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -1792.612955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.612955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.336055 (E_RNA)
where:
Base-Base interactions energy: -1215.178
where: short stacking energy: -504.365
Base-Backbone interact. energy: -0.539
local terms energy: -588.619087
where:
bonds (distance) C4'-P energy: -136.540
bonds (distance) P-C4' energy: -121.727
flat angles C4'-P-C4' energy: -130.599
flat angles P-C4'-P energy: -76.324
tors. eta vs tors. theta energy: -123.429
Dist. restrs. and SS energy: 11.723 (S_DIST_RNA)
chem. 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: -2849.335415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2849.335415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2850.995960 (E_RNA)
where:
Base-Base interactions energy: -1967.444
where: short stacking energy: -834.709
Base-Backbone interact. energy: -3.087
local terms energy: -880.465574
where:
bonds (distance) C4'-P energy: -170.052
bonds (distance) P-C4' energy: -170.938
flat angles C4'-P-C4' energy: -178.721
flat angles P-C4'-P energy: -122.912
tors. eta vs tors. theta energy: -237.843
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: 2, replica: 2
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -2651.248459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.248459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.849994 (E_RNA)
where:
Base-Base interactions energy: -1827.347
where: short stacking energy: -810.566
Base-Backbone interact. energy: -4.040
local terms energy: -821.462666
where:
bonds (distance) C4'-P energy: -148.253
bonds (distance) P-C4' energy: -150.619
flat angles C4'-P-C4' energy: -172.108
flat angles P-C4'-P energy: -127.670
tors. eta vs tors. theta energy: -222.813
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: 135
Temperature: 1.000000
Total energy: -2542.262193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.262193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.137552 (E_RNA)
where:
Base-Base interactions energy: -1725.397
where: short stacking energy: -734.294
Base-Backbone interact. energy: -1.243
local terms energy: -817.496818
where:
bonds (distance) C4'-P energy: -136.617
bonds (distance) P-C4' energy: -167.594
flat angles C4'-P-C4' energy: -179.984
flat angles P-C4'-P energy: -111.166
tors. eta vs tors. theta energy: -222.135
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: 7
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -2452.848257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.848257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.544805 (E_RNA)
where:
Base-Base interactions energy: -1676.660
where: short stacking energy: -715.510
Base-Backbone interact. energy: -6.194
local terms energy: -772.690895
where:
bonds (distance) C4'-P energy: -166.299
bonds (distance) P-C4' energy: -145.982
flat angles C4'-P-C4' energy: -166.852
flat angles P-C4'-P energy: -97.824
tors. eta vs tors. theta energy: -195.733
Dist. restrs. and SS energy: 2.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -2460.285333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.285333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.222930 (E_RNA)
where:
Base-Base interactions energy: -1703.973
where: short stacking energy: -714.876
Base-Backbone interact. energy: -0.500
local terms energy: -756.750159
where:
bonds (distance) C4'-P energy: -142.783
bonds (distance) P-C4' energy: -157.061
flat angles C4'-P-C4' energy: -152.830
flat angles P-C4'-P energy: -99.888
tors. eta vs tors. theta energy: -204.188
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: 8
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -2162.382308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.382308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.969229 (E_RNA)
where:
Base-Base interactions energy: -1457.736
where: short stacking energy: -632.337
Base-Backbone interact. energy: 1.166
local terms energy: -708.398346
where:
bonds (distance) C4'-P energy: -125.078
bonds (distance) P-C4' energy: -153.719
flat angles C4'-P-C4' energy: -142.709
flat angles P-C4'-P energy: -103.579
tors. eta vs tors. theta energy: -183.314
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: 7, replica: 1
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -2095.794252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.794252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.243100 (E_RNA)
where:
Base-Base interactions energy: -1428.069
where: short stacking energy: -626.421
Base-Backbone interact. energy: 4.039
local terms energy: -674.212571
where:
bonds (distance) C4'-P energy: -115.920
bonds (distance) P-C4' energy: -135.822
flat angles C4'-P-C4' energy: -147.357
flat angles P-C4'-P energy: -111.413
tors. eta vs tors. theta energy: -163.700
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: 8, replica: 6
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -1984.808432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.808432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.158283 (E_RNA)
where:
Base-Base interactions energy: -1331.148
where: short stacking energy: -571.244
Base-Backbone interact. energy: 1.051
local terms energy: -658.061605
where:
bonds (distance) C4'-P energy: -125.148
bonds (distance) P-C4' energy: -137.961
flat angles C4'-P-C4' energy: -146.265
flat angles P-C4'-P energy: -95.651
tors. eta vs tors. theta energy: -153.037
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: 9, replica: 3
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -1919.708543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.708543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.293298 (E_RNA)
where:
Base-Base interactions energy: -1326.767
where: short stacking energy: -575.156
Base-Backbone interact. energy: -2.564
local terms energy: -592.962028
where:
bonds (distance) C4'-P energy: -113.534
bonds (distance) P-C4' energy: -120.025
flat angles C4'-P-C4' energy: -123.920
flat angles P-C4'-P energy: -82.431
tors. eta vs tors. theta energy: -153.052
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: 10, replica: 5
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -1781.977085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.977085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.388993 (E_RNA)
where:
Base-Base interactions energy: -1211.784
where: short stacking energy: -520.473
Base-Backbone interact. energy: -1.547
local terms energy: -575.058001
where:
bonds (distance) C4'-P energy: -114.587
bonds (distance) P-C4' energy: -132.104
flat angles C4'-P-C4' energy: -135.280
flat angles P-C4'-P energy: -68.797
tors. eta vs tors. theta energy: -124.291
Dist. restrs. and SS energy: 6.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -2843.068800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.068800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2844.201734 (E_RNA)
where:
Base-Base interactions energy: -1942.090
where: short stacking energy: -827.816
Base-Backbone interact. energy: -2.926
local terms energy: -899.186253
where:
bonds (distance) C4'-P energy: -162.195
bonds (distance) P-C4' energy: -168.066
flat angles C4'-P-C4' energy: -183.553
flat angles P-C4'-P energy: -134.523
tors. eta vs tors. theta energy: -250.849
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: 2
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -2702.021321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.021321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.920977 (E_RNA)
where:
Base-Base interactions energy: -1838.015
where: short stacking energy: -820.865
Base-Backbone interact. energy: 6.350
local terms energy: -872.256039
where:
bonds (distance) C4'-P energy: -159.250
bonds (distance) P-C4' energy: -155.294
flat angles C4'-P-C4' energy: -204.564
flat angles P-C4'-P energy: -114.374
tors. eta vs tors. theta energy: -238.774
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: 3, replica: 4
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -2523.558856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.558856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.493990 (E_RNA)
where:
Base-Base interactions energy: -1700.338
where: short stacking energy: -753.022
Base-Backbone interact. energy: -3.475
local terms energy: -820.681192
where:
bonds (distance) C4'-P energy: -165.848
bonds (distance) P-C4' energy: -156.010
flat angles C4'-P-C4' energy: -182.083
flat angles P-C4'-P energy: -102.136
tors. eta vs tors. theta energy: -214.604
Dist. restrs. and SS energy: 0.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -2451.772960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.772960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.250921 (E_RNA)
where:
Base-Base interactions energy: -1661.055
where: short stacking energy: -708.886
Base-Backbone interact. energy: -4.609
local terms energy: -787.586165
where:
bonds (distance) C4'-P energy: -143.416
bonds (distance) P-C4' energy: -152.831
flat angles C4'-P-C4' energy: -175.085
flat angles P-C4'-P energy: -121.577
tors. eta vs tors. theta energy: -194.677
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: 5, replica: 10
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -2411.028607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.028607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.238644 (E_RNA)
where:
Base-Base interactions energy: -1614.977
where: short stacking energy: -673.376
Base-Backbone interact. energy: -0.026
local terms energy: -798.236283
where:
bonds (distance) C4'-P energy: -145.229
bonds (distance) P-C4' energy: -167.323
flat angles C4'-P-C4' energy: -173.126
flat angles P-C4'-P energy: -115.510
tors. eta vs tors. theta energy: -197.048
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: 6, replica: 8
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -2184.478595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.478595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.602197 (E_RNA)
where:
Base-Base interactions energy: -1469.023
where: short stacking energy: -618.919
Base-Backbone interact. energy: -3.148
local terms energy: -715.430865
where:
bonds (distance) C4'-P energy: -154.008
bonds (distance) P-C4' energy: -140.009
flat angles C4'-P-C4' energy: -149.900
flat angles P-C4'-P energy: -103.390
tors. eta vs tors. theta energy: -168.124
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: 7, replica: 1
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -2075.865054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.865054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.327183 (E_RNA)
where:
Base-Base interactions energy: -1393.432
where: short stacking energy: -613.186
Base-Backbone interact. energy: -1.987
local terms energy: -683.909140
where:
bonds (distance) C4'-P energy: -127.354
bonds (distance) P-C4' energy: -140.190
flat angles C4'-P-C4' energy: -151.594
flat angles P-C4'-P energy: -99.942
tors. eta vs tors. theta energy: -164.830
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: 8, replica: 6
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -1995.889274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.889274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.952227 (E_RNA)
where:
Base-Base interactions energy: -1403.971
where: short stacking energy: -581.557
Base-Backbone interact. energy: 2.919
local terms energy: -596.899961
where:
bonds (distance) C4'-P energy: -101.890
bonds (distance) P-C4' energy: -125.154
flat angles C4'-P-C4' energy: -146.631
flat angles P-C4'-P energy: -80.280
tors. eta vs tors. theta energy: -142.945
Dist. restrs. and SS energy: 2.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -1958.271422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.271422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.316069 (E_RNA)
where:
Base-Base interactions energy: -1323.126
where: short stacking energy: -546.756
Base-Backbone interact. energy: -3.062
local terms energy: -635.127390
where:
bonds (distance) C4'-P energy: -123.148
bonds (distance) P-C4' energy: -141.710
flat angles C4'-P-C4' energy: -135.095
flat angles P-C4'-P energy: -95.179
tors. eta vs tors. theta energy: -139.996
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: 5
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -1826.944589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.944589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.514915 (E_RNA)
where:
Base-Base interactions energy: -1246.667
where: short stacking energy: -503.553
Base-Backbone interact. energy: -1.786
local terms energy: -581.061621
where:
bonds (distance) C4'-P energy: -107.462
bonds (distance) P-C4' energy: -126.305
flat angles C4'-P-C4' energy: -123.868
flat angles P-C4'-P energy: -82.298
tors. eta vs tors. theta energy: -141.129
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: 1, replica: 9
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -2837.108621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2837.108621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.288676 (E_RNA)
where:
Base-Base interactions energy: -1956.313
where: short stacking energy: -831.948
Base-Backbone interact. energy: -3.817
local terms energy: -878.157850
where:
bonds (distance) C4'-P energy: -162.305
bonds (distance) P-C4' energy: -158.399
flat angles C4'-P-C4' energy: -188.397
flat angles P-C4'-P energy: -121.621
tors. eta vs tors. theta energy: -247.435
Dist. restrs. and SS energy: 1.180 (S_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: 137
Temperature: 0.950000
Total energy: -2636.817044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.817044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.270499 (E_RNA)
where:
Base-Base interactions energy: -1813.699
where: short stacking energy: -795.699
Base-Backbone interact. energy: -5.046
local terms energy: -819.524856
where:
bonds (distance) C4'-P energy: -150.179
bonds (distance) P-C4' energy: -140.874
flat angles C4'-P-C4' energy: -181.702
flat angles P-C4'-P energy: -111.148
tors. eta vs tors. theta energy: -235.622
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: 3, replica: 4
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -2505.208341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.208341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.025092 (E_RNA)
where:
Base-Base interactions energy: -1683.193
where: short stacking energy: -706.286
Base-Backbone interact. energy: -3.964
local terms energy: -819.868362
where:
bonds (distance) C4'-P energy: -169.271
bonds (distance) P-C4' energy: -160.711
flat angles C4'-P-C4' energy: -169.973
flat angles P-C4'-P energy: -115.462
tors. eta vs tors. theta energy: -204.452
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: 4, replica: 7
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -2439.125357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.125357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.709555 (E_RNA)
where:
Base-Base interactions energy: -1654.084
where: short stacking energy: -696.149
Base-Backbone interact. energy: -4.718
local terms energy: -781.906874
where:
bonds (distance) C4'-P energy: -141.632
bonds (distance) P-C4' energy: -154.357
flat angles C4'-P-C4' energy: -176.956
flat angles P-C4'-P energy: -105.037
tors. eta vs tors. theta energy: -203.924
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: 10
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -2444.454988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.454988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.630348 (E_RNA)
where:
Base-Base interactions energy: -1702.856
where: short stacking energy: -707.312
Base-Backbone interact. energy: -0.944
local terms energy: -742.830407
where:
bonds (distance) C4'-P energy: -143.141
bonds (distance) P-C4' energy: -136.239
flat angles C4'-P-C4' energy: -167.836
flat angles P-C4'-P energy: -100.854
tors. eta vs tors. theta energy: -194.760
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: 8
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -2172.115294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.115294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.443698 (E_RNA)
where:
Base-Base interactions energy: -1512.421
where: short stacking energy: -656.805
Base-Backbone interact. energy: 0.582
local terms energy: -662.604788
where:
bonds (distance) C4'-P energy: -133.813
bonds (distance) P-C4' energy: -129.971
flat angles C4'-P-C4' energy: -163.178
flat angles P-C4'-P energy: -69.766
tors. eta vs tors. theta energy: -165.877
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: 7, replica: 1
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -2150.291794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.291794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.789298 (E_RNA)
where:
Base-Base interactions energy: -1454.693
where: short stacking energy: -612.409
Base-Backbone interact. energy: 1.642
local terms energy: -699.737761
where:
bonds (distance) C4'-P energy: -141.117
bonds (distance) P-C4' energy: -121.393
flat angles C4'-P-C4' energy: -154.789
flat angles P-C4'-P energy: -109.475
tors. eta vs tors. theta energy: -172.964
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: 8, replica: 3
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -2030.085357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.085357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.202192 (E_RNA)
where:
Base-Base interactions energy: -1378.955
where: short stacking energy: -583.849
Base-Backbone interact. energy: -1.849
local terms energy: -651.397353
where:
bonds (distance) C4'-P energy: -106.964
bonds (distance) P-C4' energy: -144.573
flat angles C4'-P-C4' energy: -161.681
flat angles P-C4'-P energy: -96.470
tors. eta vs tors. theta energy: -141.709
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: 6
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -1905.887914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.887914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.231253 (E_RNA)
where:
Base-Base interactions energy: -1283.215
where: short stacking energy: -541.771
Base-Backbone interact. energy: 4.340
local terms energy: -630.356730
where:
bonds (distance) C4'-P energy: -119.377
bonds (distance) P-C4' energy: -137.356
flat angles C4'-P-C4' energy: -142.414
flat angles P-C4'-P energy: -86.126
tors. eta vs tors. theta energy: -145.083
Dist. restrs. and SS energy: 3.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -1876.636415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.636415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.655927 (E_RNA)
where:
Base-Base interactions energy: -1269.455
where: short stacking energy: -543.468
Base-Backbone interact. energy: -1.710
local terms energy: -619.490434
where:
bonds (distance) C4'-P energy: -132.601
bonds (distance) P-C4' energy: -141.683
flat angles C4'-P-C4' energy: -138.798
flat angles P-C4'-P energy: -83.281
tors. eta vs tors. theta energy: -123.127
Dist. restrs. and SS energy: 14.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -2839.695822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2839.695822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2840.816261 (E_RNA)
where:
Base-Base interactions energy: -1972.477
where: short stacking energy: -837.315
Base-Backbone interact. energy: -2.112
local terms energy: -866.226993
where:
bonds (distance) C4'-P energy: -170.023
bonds (distance) P-C4' energy: -153.233
flat angles C4'-P-C4' energy: -173.855
flat angles P-C4'-P energy: -129.653
tors. eta vs tors. theta energy: -239.464
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: 2, replica: 2
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -2656.931087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.931087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.057265 (E_RNA)
where:
Base-Base interactions energy: -1817.322
where: short stacking energy: -789.024
Base-Backbone interact. energy: -3.676
local terms energy: -838.059411
where:
bonds (distance) C4'-P energy: -159.521
bonds (distance) P-C4' energy: -158.505
flat angles C4'-P-C4' energy: -170.140
flat angles P-C4'-P energy: -117.989
tors. eta vs tors. theta energy: -231.905
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: 3, replica: 4
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -2551.745311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.745311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.998043 (E_RNA)
where:
Base-Base interactions energy: -1742.735
where: short stacking energy: -752.295
Base-Backbone interact. energy: -1.712
local terms energy: -808.550459
where:
bonds (distance) C4'-P energy: -145.459
bonds (distance) P-C4' energy: -153.605
flat angles C4'-P-C4' energy: -180.573
flat angles P-C4'-P energy: -122.699
tors. eta vs tors. theta energy: -206.214
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: 4, replica: 7
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -2433.098046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.098046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.437910 (E_RNA)
where:
Base-Base interactions energy: -1624.184
where: short stacking energy: -702.213
Base-Backbone interact. energy: -5.097
local terms energy: -806.156205
where:
bonds (distance) C4'-P energy: -150.120
bonds (distance) P-C4' energy: -150.357
flat angles C4'-P-C4' energy: -188.470
flat angles P-C4'-P energy: -108.568
tors. eta vs tors. theta energy: -208.641
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: 10
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -2467.943305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.943305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.487479 (E_RNA)
where:
Base-Base interactions energy: -1679.663
where: short stacking energy: -718.164
Base-Backbone interact. energy: -2.061
local terms energy: -788.763535
where:
bonds (distance) C4'-P energy: -160.228
bonds (distance) P-C4' energy: -151.022
flat angles C4'-P-C4' energy: -160.198
flat angles P-C4'-P energy: -108.797
tors. eta vs tors. theta energy: -208.519
Dist. restrs. and SS energy: 2.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -2180.857005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.857005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.236289 (E_RNA)
where:
Base-Base interactions energy: -1495.000
where: short stacking energy: -624.587
Base-Backbone interact. energy: -1.380
local terms energy: -685.856269
where:
bonds (distance) C4'-P energy: -143.089
bonds (distance) P-C4' energy: -136.296
flat angles C4'-P-C4' energy: -145.265
flat angles P-C4'-P energy: -95.747
tors. eta vs tors. theta energy: -165.460
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: 7, replica: 1
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -2158.913391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.913391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.947732 (E_RNA)
where:
Base-Base interactions energy: -1459.250
where: short stacking energy: -630.253
Base-Backbone interact. energy: -0.682
local terms energy: -701.015402
where:
bonds (distance) C4'-P energy: -138.226
bonds (distance) P-C4' energy: -139.208
flat angles C4'-P-C4' energy: -152.457
flat angles P-C4'-P energy: -106.158
tors. eta vs tors. theta energy: -164.967
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: 3
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -1995.012409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.012409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.869311 (E_RNA)
where:
Base-Base interactions energy: -1349.800
where: short stacking energy: -585.947
Base-Backbone interact. energy: -1.486
local terms energy: -650.583022
where:
bonds (distance) C4'-P energy: -115.339
bonds (distance) P-C4' energy: -155.023
flat angles C4'-P-C4' energy: -141.291
flat angles P-C4'-P energy: -85.180
tors. eta vs tors. theta energy: -153.751
Dist. restrs. and SS energy: 6.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -1970.918360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.918360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.759883 (E_RNA)
where:
Base-Base interactions energy: -1333.394
where: short stacking energy: -594.248
Base-Backbone interact. energy: 2.223
local terms energy: -644.588750
where:
bonds (distance) C4'-P energy: -136.568
bonds (distance) P-C4' energy: -139.355
flat angles C4'-P-C4' energy: -120.423
flat angles P-C4'-P energy: -88.934
tors. eta vs tors. theta energy: -159.310
Dist. restrs. and SS energy: 4.842 (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: 6
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -1868.222074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.222074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.283604 (E_RNA)
where:
Base-Base interactions energy: -1294.182
where: short stacking energy: -546.164
Base-Backbone interact. energy: 0.865
local terms energy: -577.966168
where:
bonds (distance) C4'-P energy: -103.521
bonds (distance) P-C4' energy: -111.407
flat angles C4'-P-C4' energy: -124.524
flat angles P-C4'-P energy: -85.775
tors. eta vs tors. theta energy: -152.741
Dist. restrs. and SS energy: 3.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -2845.116939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2845.116939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2846.720569 (E_RNA)
where:
Base-Base interactions energy: -1950.624
where: short stacking energy: -819.719
Base-Backbone interact. energy: -0.574
local terms energy: -895.522294
where:
bonds (distance) C4'-P energy: -164.620
bonds (distance) P-C4' energy: -172.028
flat angles C4'-P-C4' energy: -186.361
flat angles P-C4'-P energy: -124.704
tors. eta vs tors. theta energy: -247.810
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: 2, replica: 2
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -2673.006858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.006858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.455639 (E_RNA)
where:
Base-Base interactions energy: -1817.751
where: short stacking energy: -805.929
Base-Backbone interact. energy: -3.762
local terms energy: -852.941979
where:
bonds (distance) C4'-P energy: -149.169
bonds (distance) P-C4' energy: -173.506
flat angles C4'-P-C4' energy: -175.868
flat angles P-C4'-P energy: -125.366
tors. eta vs tors. theta energy: -229.034
Dist. restrs. and SS energy: 1.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -2508.455470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.455470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.984907 (E_RNA)
where:
Base-Base interactions energy: -1687.482
where: short stacking energy: -719.592
Base-Backbone interact. energy: 1.969
local terms energy: -824.471423
where:
bonds (distance) C4'-P energy: -164.562
bonds (distance) P-C4' energy: -150.968
flat angles C4'-P-C4' energy: -176.010
flat angles P-C4'-P energy: -127.196
tors. eta vs tors. theta energy: -205.735
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: 4, replica: 10
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -2536.094463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.094463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.951932 (E_RNA)
where:
Base-Base interactions energy: -1725.805
where: short stacking energy: -753.461
Base-Backbone interact. energy: -3.933
local terms energy: -809.214466
where:
bonds (distance) C4'-P energy: -143.402
bonds (distance) P-C4' energy: -159.037
flat angles C4'-P-C4' energy: -182.448
flat angles P-C4'-P energy: -110.399
tors. eta vs tors. theta energy: -213.929
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: 5, replica: 7
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -2341.571042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.571042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.748408 (E_RNA)
where:
Base-Base interactions energy: -1599.640
where: short stacking energy: -665.345
Base-Backbone interact. energy: -3.270
local terms energy: -740.838142
where:
bonds (distance) C4'-P energy: -129.710
bonds (distance) P-C4' energy: -147.386
flat angles C4'-P-C4' energy: -159.902
flat angles P-C4'-P energy: -111.100
tors. eta vs tors. theta energy: -192.739
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: 6, replica: 8
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -2266.557708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.557708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.922206 (E_RNA)
where:
Base-Base interactions energy: -1530.237
where: short stacking energy: -624.783
Base-Backbone interact. energy: -2.326
local terms energy: -736.359500
where:
bonds (distance) C4'-P energy: -131.600
bonds (distance) P-C4' energy: -158.075
flat angles C4'-P-C4' energy: -149.699
flat angles P-C4'-P energy: -110.991
tors. eta vs tors. theta energy: -185.995
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: 7, replica: 1
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -2118.243705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.243705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.110558 (E_RNA)
where:
Base-Base interactions energy: -1431.784
where: short stacking energy: -610.845
Base-Backbone interact. energy: -2.297
local terms energy: -687.028759
where:
bonds (distance) C4'-P energy: -134.696
bonds (distance) P-C4' energy: -142.564
flat angles C4'-P-C4' energy: -157.244
flat angles P-C4'-P energy: -91.783
tors. eta vs tors. theta energy: -160.742
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: 8, replica: 5
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -1948.348932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.348932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.563980 (E_RNA)
where:
Base-Base interactions energy: -1304.497
where: short stacking energy: -556.573
Base-Backbone interact. energy: 1.044
local terms energy: -651.110916
where:
bonds (distance) C4'-P energy: -134.294
bonds (distance) P-C4' energy: -136.449
flat angles C4'-P-C4' energy: -142.917
flat angles P-C4'-P energy: -97.861
tors. eta vs tors. theta energy: -139.589
Dist. restrs. and SS energy: 6.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -1922.021642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.021642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.340702 (E_RNA)
where:
Base-Base interactions energy: -1344.891
where: short stacking energy: -556.299
Base-Backbone interact. energy: 1.136
local terms energy: -582.585999
where:
bonds (distance) C4'-P energy: -113.884
bonds (distance) P-C4' energy: -105.142
flat angles C4'-P-C4' energy: -134.868
flat angles P-C4'-P energy: -82.697
tors. eta vs tors. theta energy: -145.995
Dist. restrs. and SS energy: 4.319 (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: 6
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -1843.818426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.818426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.830435 (E_RNA)
where:
Base-Base interactions energy: -1268.537
where: short stacking energy: -548.563
Base-Backbone interact. energy: 6.052
local terms energy: -591.344997
where:
bonds (distance) C4'-P energy: -114.115
bonds (distance) P-C4' energy: -130.337
flat angles C4'-P-C4' energy: -129.324
flat angles P-C4'-P energy: -85.749
tors. eta vs tors. theta energy: -131.820
Dist. restrs. and SS energy: 10.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -2857.792013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2857.792013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2859.200720 (E_RNA)
where:
Base-Base interactions energy: -1992.660
where: short stacking energy: -849.465
Base-Backbone interact. energy: -1.614
local terms energy: -864.926549
where:
bonds (distance) C4'-P energy: -158.441
bonds (distance) P-C4' energy: -160.242
flat angles C4'-P-C4' energy: -182.506
flat angles P-C4'-P energy: -121.999
tors. eta vs tors. theta energy: -241.739
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: 2, replica: 2
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -2661.698271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.698271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.195870 (E_RNA)
where:
Base-Base interactions energy: -1804.177
where: short stacking energy: -786.145
Base-Backbone interact. energy: 1.316
local terms energy: -861.334513
where:
bonds (distance) C4'-P energy: -154.623
bonds (distance) P-C4' energy: -167.758
flat angles C4'-P-C4' energy: -187.849
flat angles P-C4'-P energy: -125.181
tors. eta vs tors. theta energy: -225.923
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: 3, replica: 10
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -2580.704068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.704068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.142725 (E_RNA)
where:
Base-Base interactions energy: -1759.078
where: short stacking energy: -781.040
Base-Backbone interact. energy: 1.056
local terms energy: -826.120659
where:
bonds (distance) C4'-P energy: -157.360
bonds (distance) P-C4' energy: -160.065
flat angles C4'-P-C4' energy: -167.594
flat angles P-C4'-P energy: -119.536
tors. eta vs tors. theta energy: -221.567
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: 4, replica: 4
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -2433.400704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.400704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.415194 (E_RNA)
where:
Base-Base interactions energy: -1667.350
where: short stacking energy: -702.683
Base-Backbone interact. energy: 4.572
local terms energy: -771.637599
where:
bonds (distance) C4'-P energy: -142.017
bonds (distance) P-C4' energy: -147.711
flat angles C4'-P-C4' energy: -166.537
flat angles P-C4'-P energy: -120.144
tors. eta vs tors. theta energy: -195.228
Dist. restrs. and SS energy: 1.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -2352.500033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.500033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.590907 (E_RNA)
where:
Base-Base interactions energy: -1596.072
where: short stacking energy: -678.449
Base-Backbone interact. energy: -3.138
local terms energy: -755.380649
where:
bonds (distance) C4'-P energy: -155.578
bonds (distance) P-C4' energy: -157.707
flat angles C4'-P-C4' energy: -156.554
flat angles P-C4'-P energy: -99.855
tors. eta vs tors. theta energy: -185.688
Dist. restrs. and SS energy: 2.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -2249.919279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.919279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.100152 (E_RNA)
where:
Base-Base interactions energy: -1520.164
where: short stacking energy: -647.824
Base-Backbone interact. energy: -0.003
local terms energy: -731.932329
where:
bonds (distance) C4'-P energy: -134.861
bonds (distance) P-C4' energy: -151.259
flat angles C4'-P-C4' energy: -168.162
flat angles P-C4'-P energy: -100.129
tors. eta vs tors. theta energy: -177.522
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: 7, replica: 1
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -2087.075900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.075900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.710194 (E_RNA)
where:
Base-Base interactions energy: -1403.202
where: short stacking energy: -605.258
Base-Backbone interact. energy: -0.876
local terms energy: -684.631997
where:
bonds (distance) C4'-P energy: -137.048
bonds (distance) P-C4' energy: -131.660
flat angles C4'-P-C4' energy: -154.750
flat angles P-C4'-P energy: -100.483
tors. eta vs tors. theta energy: -160.691
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: 5
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -1955.556781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.556781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.332409 (E_RNA)
where:
Base-Base interactions energy: -1314.393
where: short stacking energy: -571.679
Base-Backbone interact. energy: 2.160
local terms energy: -647.098635
where:
bonds (distance) C4'-P energy: -128.711
bonds (distance) P-C4' energy: -144.423
flat angles C4'-P-C4' energy: -142.965
flat angles P-C4'-P energy: -88.423
tors. eta vs tors. theta energy: -142.577
Dist. restrs. and SS energy: 3.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -1896.291786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.291786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.971034 (E_RNA)
where:
Base-Base interactions energy: -1259.534
where: short stacking energy: -527.067
Base-Backbone interact. energy: -2.069
local terms energy: -644.368259
where:
bonds (distance) C4'-P energy: -135.066
bonds (distance) P-C4' energy: -140.698
flat angles C4'-P-C4' energy: -144.310
flat angles P-C4'-P energy: -84.916
tors. eta vs tors. theta energy: -139.378
Dist. restrs. and SS energy: 9.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -1852.360087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.360087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.804361 (E_RNA)
where:
Base-Base interactions energy: -1247.045
where: short stacking energy: -526.929
Base-Backbone interact. energy: -3.634
local terms energy: -605.125453
where:
bonds (distance) C4'-P energy: -115.116
bonds (distance) P-C4' energy: -137.397
flat angles C4'-P-C4' energy: -135.844
flat angles P-C4'-P energy: -76.179
tors. eta vs tors. theta energy: -140.589
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: 1, replica: 9
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -2865.644563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2865.644563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2867.195753 (E_RNA)
where:
Base-Base interactions energy: -1983.402
where: short stacking energy: -854.989
Base-Backbone interact. energy: -1.111
local terms energy: -882.682071
where:
bonds (distance) C4'-P energy: -171.121
bonds (distance) P-C4' energy: -158.126
flat angles C4'-P-C4' energy: -189.132
flat angles P-C4'-P energy: -119.349
tors. eta vs tors. theta energy: -244.955
Dist. restrs. and SS energy: 1.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -2682.215663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.215663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.707405 (E_RNA)
where:
Base-Base interactions energy: -1828.101
where: short stacking energy: -827.945
Base-Backbone interact. energy: -2.714
local terms energy: -854.892878
where:
bonds (distance) C4'-P energy: -158.061
bonds (distance) P-C4' energy: -146.132
flat angles C4'-P-C4' energy: -182.270
flat angles P-C4'-P energy: -122.802
tors. eta vs tors. theta energy: -245.628
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: 3, replica: 10
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -2590.784975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.784975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.518830 (E_RNA)
where:
Base-Base interactions energy: -1759.523
where: short stacking energy: -770.937
Base-Backbone interact. energy: -2.314
local terms energy: -831.681873
where:
bonds (distance) C4'-P energy: -150.317
bonds (distance) P-C4' energy: -160.463
flat angles C4'-P-C4' energy: -166.370
flat angles P-C4'-P energy: -120.470
tors. eta vs tors. theta energy: -234.062
Dist. restrs. and SS energy: 2.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -2433.223588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.223588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.993344 (E_RNA)
where:
Base-Base interactions energy: -1671.043
where: short stacking energy: -717.724
Base-Backbone interact. energy: -0.270
local terms energy: -763.680340
where:
bonds (distance) C4'-P energy: -124.112
bonds (distance) P-C4' energy: -145.835
flat angles C4'-P-C4' energy: -172.156
flat angles P-C4'-P energy: -112.244
tors. eta vs tors. theta energy: -209.334
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: 141
Temperature: 1.100000
Total energy: -2321.511093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.511093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.305616 (E_RNA)
where:
Base-Base interactions energy: -1578.625
where: short stacking energy: -667.748
Base-Backbone interact. energy: -0.169
local terms energy: -746.511518
where:
bonds (distance) C4'-P energy: -138.574
bonds (distance) P-C4' energy: -149.596
flat angles C4'-P-C4' energy: -159.411
flat angles P-C4'-P energy: -100.326
tors. eta vs tors. theta energy: -198.605
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: 6, replica: 8
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -2234.427849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.427849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.068575 (E_RNA)
where:
Base-Base interactions energy: -1532.990
where: short stacking energy: -675.567
Base-Backbone interact. energy: -0.862
local terms energy: -703.215944
where:
bonds (distance) C4'-P energy: -126.986
bonds (distance) P-C4' energy: -136.650
flat angles C4'-P-C4' energy: -162.136
flat angles P-C4'-P energy: -93.946
tors. eta vs tors. theta energy: -183.498
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: 7, replica: 1
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -2110.630029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.630029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.445371 (E_RNA)
where:
Base-Base interactions energy: -1449.431
where: short stacking energy: -627.284
Base-Backbone interact. energy: 1.143
local terms energy: -666.158279
where:
bonds (distance) C4'-P energy: -130.480
bonds (distance) P-C4' energy: -137.347
flat angles C4'-P-C4' energy: -144.333
flat angles P-C4'-P energy: -89.830
tors. eta vs tors. theta energy: -164.169
Dist. restrs. and SS energy: 3.815 (S_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: 141
Temperature: 1.250000
Total energy: -1988.602759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.602759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.260507 (E_RNA)
where:
Base-Base interactions energy: -1332.798
where: short stacking energy: -577.114
Base-Backbone interact. energy: -1.573
local terms energy: -656.889081
where:
bonds (distance) C4'-P energy: -106.768
bonds (distance) P-C4' energy: -143.799
flat angles C4'-P-C4' energy: -143.747
flat angles P-C4'-P energy: -111.213
tors. eta vs tors. theta energy: -151.362
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: 9, replica: 6
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -1867.980070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.980070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.287114 (E_RNA)
where:
Base-Base interactions energy: -1266.862
where: short stacking energy: -544.689
Base-Backbone interact. energy: -2.482
local terms energy: -605.942491
where:
bonds (distance) C4'-P energy: -106.414
bonds (distance) P-C4' energy: -143.223
flat angles C4'-P-C4' energy: -144.482
flat angles P-C4'-P energy: -80.927
tors. eta vs tors. theta energy: -130.896
Dist. restrs. and SS energy: 7.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -1863.103547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.103547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.217193 (E_RNA)
where:
Base-Base interactions energy: -1283.824
where: short stacking energy: -527.378
Base-Backbone interact. energy: 2.260
local terms energy: -587.652880
where:
bonds (distance) C4'-P energy: -117.085
bonds (distance) P-C4' energy: -136.573
flat angles C4'-P-C4' energy: -137.967
flat angles P-C4'-P energy: -70.192
tors. eta vs tors. theta energy: -125.835
Dist. restrs. and SS energy: 6.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -2877.645221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2877.645221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2879.022562 (E_RNA)
where:
Base-Base interactions energy: -1981.539
where: short stacking energy: -859.679
Base-Backbone interact. energy: -4.089
local terms energy: -893.394413
where:
bonds (distance) C4'-P energy: -163.360
bonds (distance) P-C4' energy: -172.971
flat angles C4'-P-C4' energy: -194.438
flat angles P-C4'-P energy: -118.817
tors. eta vs tors. theta energy: -243.808
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: 2, replica: 2
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -2645.224057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.224057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.152801 (E_RNA)
where:
Base-Base interactions energy: -1802.202
where: short stacking energy: -805.067
Base-Backbone interact. energy: -2.777
local terms energy: -842.173667
where:
bonds (distance) C4'-P energy: -136.640
bonds (distance) P-C4' energy: -159.361
flat angles C4'-P-C4' energy: -193.465
flat angles P-C4'-P energy: -116.726
tors. eta vs tors. theta energy: -235.982
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: 3, replica: 10
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -2588.136960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.136960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.649430 (E_RNA)
where:
Base-Base interactions energy: -1759.271
where: short stacking energy: -776.271
Base-Backbone interact. energy: 3.407
local terms energy: -833.786063
where:
bonds (distance) C4'-P energy: -159.748
bonds (distance) P-C4' energy: -147.243
flat angles C4'-P-C4' energy: -181.885
flat angles P-C4'-P energy: -110.511
tors. eta vs tors. theta energy: -234.399
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: 4
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -2419.857377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.857377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.540094 (E_RNA)
where:
Base-Base interactions energy: -1638.924
where: short stacking energy: -741.488
Base-Backbone interact. energy: -2.208
local terms energy: -780.407486
where:
bonds (distance) C4'-P energy: -150.590
bonds (distance) P-C4' energy: -145.235
flat angles C4'-P-C4' energy: -173.711
flat angles P-C4'-P energy: -102.097
tors. eta vs tors. theta energy: -208.774
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: 7
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -2316.305079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.305079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.526037 (E_RNA)
where:
Base-Base interactions energy: -1577.963
where: short stacking energy: -667.251
Base-Backbone interact. energy: -0.666
local terms energy: -739.896900
where:
bonds (distance) C4'-P energy: -147.604
bonds (distance) P-C4' energy: -132.885
flat angles C4'-P-C4' energy: -162.065
flat angles P-C4'-P energy: -113.370
tors. eta vs tors. theta energy: -183.973
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: 6, replica: 8
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -2178.533797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.533797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.251900 (E_RNA)
where:
Base-Base interactions energy: -1475.401
where: short stacking energy: -634.210
Base-Backbone interact. energy: 1.686
local terms energy: -706.537029
where:
bonds (distance) C4'-P energy: -135.125
bonds (distance) P-C4' energy: -134.984
flat angles C4'-P-C4' energy: -159.734
flat angles P-C4'-P energy: -104.741
tors. eta vs tors. theta energy: -171.953
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: 7, replica: 1
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -2082.130265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.130265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.997993 (E_RNA)
where:
Base-Base interactions energy: -1416.066
where: short stacking energy: -598.454
Base-Backbone interact. energy: -1.442
local terms energy: -666.489595
where:
bonds (distance) C4'-P energy: -112.579
bonds (distance) P-C4' energy: -158.111
flat angles C4'-P-C4' energy: -147.949
flat angles P-C4'-P energy: -92.697
tors. eta vs tors. theta energy: -155.154
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: 5
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -2030.423113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.423113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.349927 (E_RNA)
where:
Base-Base interactions energy: -1380.294
where: short stacking energy: -605.986
Base-Backbone interact. energy: -1.399
local terms energy: -651.656215
where:
bonds (distance) C4'-P energy: -119.901
bonds (distance) P-C4' energy: -123.362
flat angles C4'-P-C4' energy: -142.940
flat angles P-C4'-P energy: -107.197
tors. eta vs tors. theta energy: -158.256
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: 9, replica: 3
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -1927.090785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.090785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.579989 (E_RNA)
where:
Base-Base interactions energy: -1297.630
where: short stacking energy: -529.450
Base-Backbone interact. energy: -1.311
local terms energy: -633.638921
where:
bonds (distance) C4'-P energy: -138.509
bonds (distance) P-C4' energy: -129.732
flat angles C4'-P-C4' energy: -140.720
flat angles P-C4'-P energy: -89.871
tors. eta vs tors. theta energy: -134.807
Dist. restrs. and SS energy: 5.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -1878.239438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.239438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.480544 (E_RNA)
where:
Base-Base interactions energy: -1264.245
where: short stacking energy: -523.767
Base-Backbone interact. energy: 5.357
local terms energy: -621.592900
where:
bonds (distance) C4'-P energy: -134.575
bonds (distance) P-C4' energy: -129.838
flat angles C4'-P-C4' energy: -127.426
flat angles P-C4'-P energy: -85.441
tors. eta vs tors. theta energy: -144.313
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: 1, replica: 9
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -2879.521114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2879.521114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2880.622916 (E_RNA)
where:
Base-Base interactions energy: -1993.088
where: short stacking energy: -851.797
Base-Backbone interact. energy: -1.550
local terms energy: -885.985390
where:
bonds (distance) C4'-P energy: -169.999
bonds (distance) P-C4' energy: -164.575
flat angles C4'-P-C4' energy: -192.125
flat angles P-C4'-P energy: -114.382
tors. eta vs tors. theta energy: -244.904
Dist. restrs. and SS energy: 1.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -2624.253934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.253934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.005037 (E_RNA)
where:
Base-Base interactions energy: -1786.656
where: short stacking energy: -801.364
Base-Backbone interact. energy: -2.448
local terms energy: -836.900706
where:
bonds (distance) C4'-P energy: -145.637
bonds (distance) P-C4' energy: -152.946
flat angles C4'-P-C4' energy: -178.524
flat angles P-C4'-P energy: -132.195
tors. eta vs tors. theta energy: -227.599
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: 3, replica: 10
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -2582.044410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.044410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.189483 (E_RNA)
where:
Base-Base interactions energy: -1755.632
where: short stacking energy: -759.361
Base-Backbone interact. energy: -2.313
local terms energy: -825.244583
where:
bonds (distance) C4'-P energy: -158.303
bonds (distance) P-C4' energy: -173.905
flat angles C4'-P-C4' energy: -159.561
flat angles P-C4'-P energy: -104.165
tors. eta vs tors. theta energy: -229.311
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: 4, replica: 4
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -2400.435181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.435181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.790519 (E_RNA)
where:
Base-Base interactions energy: -1652.854
where: short stacking energy: -701.428
Base-Backbone interact. energy: 5.779
local terms energy: -754.715166
where:
bonds (distance) C4'-P energy: -122.599
bonds (distance) P-C4' energy: -159.404
flat angles C4'-P-C4' energy: -162.653
flat angles P-C4'-P energy: -114.100
tors. eta vs tors. theta energy: -195.959
Dist. restrs. and SS energy: 1.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -2327.778281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.778281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.285293 (E_RNA)
where:
Base-Base interactions energy: -1596.067
where: short stacking energy: -686.526
Base-Backbone interact. energy: 6.806
local terms energy: -740.024152
where:
bonds (distance) C4'-P energy: -131.831
bonds (distance) P-C4' energy: -150.563
flat angles C4'-P-C4' energy: -165.109
flat angles P-C4'-P energy: -104.357
tors. eta vs tors. theta energy: -188.165
Dist. restrs. and SS energy: 1.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -2183.278942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.278942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.549755 (E_RNA)
where:
Base-Base interactions energy: -1475.315
where: short stacking energy: -645.820
Base-Backbone interact. energy: -1.188
local terms energy: -710.046318
where:
bonds (distance) C4'-P energy: -142.291
bonds (distance) P-C4' energy: -134.222
flat angles C4'-P-C4' energy: -154.855
flat angles P-C4'-P energy: -108.444
tors. eta vs tors. theta energy: -170.235
Dist. restrs. and SS energy: 3.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -2106.796985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.796985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.541271 (E_RNA)
where:
Base-Base interactions energy: -1411.687
where: short stacking energy: -603.287
Base-Backbone interact. energy: -2.677
local terms energy: -694.177254
where:
bonds (distance) C4'-P energy: -125.792
bonds (distance) P-C4' energy: -143.938
flat angles C4'-P-C4' energy: -161.523
flat angles P-C4'-P energy: -102.853
tors. eta vs tors. theta energy: -160.071
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: 5
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -2003.105659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.105659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.245279 (E_RNA)
where:
Base-Base interactions energy: -1348.267
where: short stacking energy: -584.946
Base-Backbone interact. energy: -0.577
local terms energy: -656.401097
where:
bonds (distance) C4'-P energy: -146.898
bonds (distance) P-C4' energy: -129.183
flat angles C4'-P-C4' energy: -138.785
flat angles P-C4'-P energy: -80.117
tors. eta vs tors. theta energy: -161.417
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: 9, replica: 3
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -1923.396999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.396999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.729013 (E_RNA)
where:
Base-Base interactions energy: -1274.076
where: short stacking energy: -532.298
Base-Backbone interact. energy: 2.209
local terms energy: -655.862085
where:
bonds (distance) C4'-P energy: -120.694
bonds (distance) P-C4' energy: -160.104
flat angles C4'-P-C4' energy: -150.564
flat angles P-C4'-P energy: -80.612
tors. eta vs tors. theta energy: -143.889
Dist. restrs. and SS energy: 4.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -1875.428981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.428981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.062417 (E_RNA)
where:
Base-Base interactions energy: -1294.973
where: short stacking energy: -540.830
Base-Backbone interact. energy: 1.133
local terms energy: -584.222902
where:
bonds (distance) C4'-P energy: -117.944
bonds (distance) P-C4' energy: -123.614
flat angles C4'-P-C4' energy: -130.486
flat angles P-C4'-P energy: -79.818
tors. eta vs tors. theta energy: -132.360
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: 1, replica: 9
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -2857.746885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2857.746885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2859.076413 (E_RNA)
where:
Base-Base interactions energy: -1969.189
where: short stacking energy: -825.227
Base-Backbone interact. energy: -1.954
local terms energy: -887.932793
where:
bonds (distance) C4'-P energy: -161.644
bonds (distance) P-C4' energy: -169.849
flat angles C4'-P-C4' energy: -183.365
flat angles P-C4'-P energy: -124.666
tors. eta vs tors. theta energy: -248.409
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: 2, replica: 2
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -2653.890817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.890817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.673530 (E_RNA)
where:
Base-Base interactions energy: -1780.982
where: short stacking energy: -759.447
Base-Backbone interact. energy: -3.156
local terms energy: -871.535685
where:
bonds (distance) C4'-P energy: -168.806
bonds (distance) P-C4' energy: -156.727
flat angles C4'-P-C4' energy: -190.750
flat angles P-C4'-P energy: -119.471
tors. eta vs tors. theta energy: -235.781
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: 10
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -2565.484521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.484521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.290400 (E_RNA)
where:
Base-Base interactions energy: -1728.545
where: short stacking energy: -763.971
Base-Backbone interact. energy: -1.395
local terms energy: -837.350212
where:
bonds (distance) C4'-P energy: -155.885
bonds (distance) P-C4' energy: -151.542
flat angles C4'-P-C4' energy: -170.928
flat angles P-C4'-P energy: -127.093
tors. eta vs tors. theta energy: -231.902
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: 4, replica: 4
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -2398.367312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.367312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.594540 (E_RNA)
where:
Base-Base interactions energy: -1634.897
where: short stacking energy: -695.129
Base-Backbone interact. energy: -1.937
local terms energy: -762.760454
where:
bonds (distance) C4'-P energy: -140.154
bonds (distance) P-C4' energy: -143.370
flat angles C4'-P-C4' energy: -171.801
flat angles P-C4'-P energy: -111.188
tors. eta vs tors. theta energy: -196.248
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: 5, replica: 7
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -2231.742322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.742322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.024646 (E_RNA)
where:
Base-Base interactions energy: -1499.549
where: short stacking energy: -663.772
Base-Backbone interact. energy: 3.830
local terms energy: -737.306195
where:
bonds (distance) C4'-P energy: -135.957
bonds (distance) P-C4' energy: -146.661
flat angles C4'-P-C4' energy: -156.177
flat angles P-C4'-P energy: -108.043
tors. eta vs tors. theta energy: -190.468
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: 6, replica: 8
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -2182.379982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.379982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.773769 (E_RNA)
where:
Base-Base interactions energy: -1502.915
where: short stacking energy: -635.251
Base-Backbone interact. energy: -3.488
local terms energy: -677.370096
where:
bonds (distance) C4'-P energy: -139.597
bonds (distance) P-C4' energy: -121.291
flat angles C4'-P-C4' energy: -145.223
flat angles P-C4'-P energy: -107.875
tors. eta vs tors. theta energy: -163.385
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: 1
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -2084.141327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.141327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.123198 (E_RNA)
where:
Base-Base interactions energy: -1430.585
where: short stacking energy: -618.296
Base-Backbone interact. energy: 0.732
local terms energy: -656.269787
where:
bonds (distance) C4'-P energy: -138.911
bonds (distance) P-C4' energy: -134.191
flat angles C4'-P-C4' energy: -136.579
flat angles P-C4'-P energy: -81.520
tors. eta vs tors. theta energy: -165.069
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: 8, replica: 5
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -2021.749794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.749794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.241514 (E_RNA)
where:
Base-Base interactions energy: -1372.635
where: short stacking energy: -573.210
Base-Backbone interact. energy: -1.416
local terms energy: -649.189825
where:
bonds (distance) C4'-P energy: -140.051
bonds (distance) P-C4' energy: -136.238
flat angles C4'-P-C4' energy: -140.942
flat angles P-C4'-P energy: -80.474
tors. eta vs tors. theta energy: -151.485
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: 9, replica: 3
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -1975.124872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.124872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.128244 (E_RNA)
where:
Base-Base interactions energy: -1345.765
where: short stacking energy: -561.050
Base-Backbone interact. energy: -2.346
local terms energy: -629.017237
where:
bonds (distance) C4'-P energy: -118.002
bonds (distance) P-C4' energy: -119.875
flat angles C4'-P-C4' energy: -150.423
flat angles P-C4'-P energy: -89.615
tors. eta vs tors. theta energy: -151.103
Dist. restrs. and SS energy: 2.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -1869.187957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.187957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.662279 (E_RNA)
where:
Base-Base interactions energy: -1269.809
where: short stacking energy: -534.025
Base-Backbone interact. energy: 3.961
local terms energy: -605.814613
where:
bonds (distance) C4'-P energy: -126.234
bonds (distance) P-C4' energy: -128.200
flat angles C4'-P-C4' energy: -144.610
flat angles P-C4'-P energy: -74.491
tors. eta vs tors. theta energy: -132.280
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: 1, replica: 9
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -2844.328008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2844.328008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2845.985557 (E_RNA)
where:
Base-Base interactions energy: -1939.966
where: short stacking energy: -810.026
Base-Backbone interact. energy: -6.134
local terms energy: -899.885368
where:
bonds (distance) C4'-P energy: -173.853
bonds (distance) P-C4' energy: -178.539
flat angles C4'-P-C4' energy: -177.688
flat angles P-C4'-P energy: -125.513
tors. eta vs tors. theta energy: -244.293
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: 10
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -2636.853641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.853641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.135251 (E_RNA)
where:
Base-Base interactions energy: -1789.063
where: short stacking energy: -794.354
Base-Backbone interact. energy: 2.585
local terms energy: -852.657883
where:
bonds (distance) C4'-P energy: -165.224
bonds (distance) P-C4' energy: -157.841
flat angles C4'-P-C4' energy: -173.040
flat angles P-C4'-P energy: -127.954
tors. eta vs tors. theta energy: -228.599
Dist. restrs. and SS energy: 2.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -2566.901249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.901249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.903492 (E_RNA)
where:
Base-Base interactions energy: -1755.566
where: short stacking energy: -733.939
Base-Backbone interact. energy: -2.392
local terms energy: -810.945323
where:
bonds (distance) C4'-P energy: -135.909
bonds (distance) P-C4' energy: -164.799
flat angles C4'-P-C4' energy: -178.180
flat angles P-C4'-P energy: -113.416
tors. eta vs tors. theta energy: -218.641
Dist. restrs. and SS energy: 2.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -2450.672983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.672983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.549992 (E_RNA)
where:
Base-Base interactions energy: -1657.817
where: short stacking energy: -736.090
Base-Backbone interact. energy: -1.276
local terms energy: -793.457129
where:
bonds (distance) C4'-P energy: -163.519
bonds (distance) P-C4' energy: -143.339
flat angles C4'-P-C4' energy: -172.107
flat angles P-C4'-P energy: -115.824
tors. eta vs tors. theta energy: -198.667
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: 7
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -2323.245235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.245235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.693399 (E_RNA)
where:
Base-Base interactions energy: -1542.998
where: short stacking energy: -682.948
Base-Backbone interact. energy: -0.275
local terms energy: -782.419676
where:
bonds (distance) C4'-P energy: -156.526
bonds (distance) P-C4' energy: -154.886
flat angles C4'-P-C4' energy: -173.903
flat angles P-C4'-P energy: -106.494
tors. eta vs tors. theta energy: -190.611
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: 6, replica: 1
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -2189.791131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.791131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.768518 (E_RNA)
where:
Base-Base interactions energy: -1481.481
where: short stacking energy: -613.750
Base-Backbone interact. energy: -0.049
local terms energy: -710.238191
where:
bonds (distance) C4'-P energy: -130.082
bonds (distance) P-C4' energy: -142.605
flat angles C4'-P-C4' energy: -167.953
flat angles P-C4'-P energy: -96.679
tors. eta vs tors. theta energy: -172.920
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: 7, replica: 8
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -2117.817696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.817696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.319418 (E_RNA)
where:
Base-Base interactions energy: -1450.875
where: short stacking energy: -603.633
Base-Backbone interact. energy: -1.769
local terms energy: -666.676057
where:
bonds (distance) C4'-P energy: -121.171
bonds (distance) P-C4' energy: -146.468
flat angles C4'-P-C4' energy: -156.159
flat angles P-C4'-P energy: -87.158
tors. eta vs tors. theta energy: -155.720
Dist. restrs. and SS energy: 1.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -2009.842990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.842990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.932151 (E_RNA)
where:
Base-Base interactions energy: -1372.737
where: short stacking energy: -581.431
Base-Backbone interact. energy: 3.075
local terms energy: -642.270149
where:
bonds (distance) C4'-P energy: -145.960
bonds (distance) P-C4' energy: -93.397
flat angles C4'-P-C4' energy: -157.452
flat angles P-C4'-P energy: -84.230
tors. eta vs tors. theta energy: -161.232
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: 9, replica: 3
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -1934.112208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.112208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.339406 (E_RNA)
where:
Base-Base interactions energy: -1295.809
where: short stacking energy: -533.981
Base-Backbone interact. energy: 4.324
local terms energy: -647.854654
where:
bonds (distance) C4'-P energy: -144.092
bonds (distance) P-C4' energy: -129.071
flat angles C4'-P-C4' energy: -153.432
flat angles P-C4'-P energy: -83.088
tors. eta vs tors. theta energy: -138.172
Dist. restrs. and SS energy: 5.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -1878.268368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.268368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.490942 (E_RNA)
where:
Base-Base interactions energy: -1277.043
where: short stacking energy: -528.217
Base-Backbone interact. energy: 3.083
local terms energy: -607.530467
where:
bonds (distance) C4'-P energy: -124.799
bonds (distance) P-C4' energy: -111.130
flat angles C4'-P-C4' energy: -152.438
flat angles P-C4'-P energy: -83.277
tors. eta vs tors. theta energy: -135.887
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: 1, replica: 9
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -2852.553596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2852.553596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2854.173352 (E_RNA)
where:
Base-Base interactions energy: -1960.527
where: short stacking energy: -869.059
Base-Backbone interact. energy: -0.998
local terms energy: -892.648144
where:
bonds (distance) C4'-P energy: -173.570
bonds (distance) P-C4' energy: -153.573
flat angles C4'-P-C4' energy: -198.433
flat angles P-C4'-P energy: -124.845
tors. eta vs tors. theta energy: -242.227
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: 2, replica: 10
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -2629.584792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.584792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.135948 (E_RNA)
where:
Base-Base interactions energy: -1776.967
where: short stacking energy: -780.282
Base-Backbone interact. energy: -4.197
local terms energy: -849.972358
where:
bonds (distance) C4'-P energy: -148.595
bonds (distance) P-C4' energy: -164.379
flat angles C4'-P-C4' energy: -173.792
flat angles P-C4'-P energy: -122.205
tors. eta vs tors. theta energy: -241.002
Dist. restrs. and SS energy: 1.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -2547.017059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.017059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.080042 (E_RNA)
where:
Base-Base interactions energy: -1750.609
where: short stacking energy: -749.081
Base-Backbone interact. energy: -3.368
local terms energy: -795.102959
where:
bonds (distance) C4'-P energy: -155.387
bonds (distance) P-C4' energy: -172.712
flat angles C4'-P-C4' energy: -164.200
flat angles P-C4'-P energy: -104.848
tors. eta vs tors. theta energy: -197.956
Dist. restrs. and SS energy: 2.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -2413.881887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.881887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.384847 (E_RNA)
where:
Base-Base interactions energy: -1670.658
where: short stacking energy: -731.144
Base-Backbone interact. energy: -0.624
local terms energy: -745.102738
where:
bonds (distance) C4'-P energy: -120.929
bonds (distance) P-C4' energy: -148.899
flat angles C4'-P-C4' energy: -163.636
flat angles P-C4'-P energy: -113.421
tors. eta vs tors. theta energy: -198.217
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: 5, replica: 7
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -2315.121429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.121429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.568715 (E_RNA)
where:
Base-Base interactions energy: -1559.751
where: short stacking energy: -707.073
Base-Backbone interact. energy: -0.450
local terms energy: -758.367608
where:
bonds (distance) C4'-P energy: -156.760
bonds (distance) P-C4' energy: -135.426
flat angles C4'-P-C4' energy: -160.012
flat angles P-C4'-P energy: -100.915
tors. eta vs tors. theta energy: -205.255
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: 6, replica: 1
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -2234.604102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.604102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.873190 (E_RNA)
where:
Base-Base interactions energy: -1495.831
where: short stacking energy: -659.377
Base-Backbone interact. energy: -0.329
local terms energy: -740.713712
where:
bonds (distance) C4'-P energy: -142.078
bonds (distance) P-C4' energy: -132.831
flat angles C4'-P-C4' energy: -150.856
flat angles P-C4'-P energy: -119.078
tors. eta vs tors. theta energy: -195.870
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: 7, replica: 8
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -2106.818049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.818049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.024913 (E_RNA)
where:
Base-Base interactions energy: -1407.503
where: short stacking energy: -592.283
Base-Backbone interact. energy: -0.882
local terms energy: -699.639625
where:
bonds (distance) C4'-P energy: -145.754
bonds (distance) P-C4' energy: -132.955
flat angles C4'-P-C4' energy: -163.095
flat angles P-C4'-P energy: -107.356
tors. eta vs tors. theta energy: -150.479
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: 8, replica: 5
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -1996.592925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.592925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.055651 (E_RNA)
where:
Base-Base interactions energy: -1341.409
where: short stacking energy: -565.306
Base-Backbone interact. energy: 0.614
local terms energy: -658.260081
where:
bonds (distance) C4'-P energy: -134.227
bonds (distance) P-C4' energy: -141.341
flat angles C4'-P-C4' energy: -147.873
flat angles P-C4'-P energy: -90.118
tors. eta vs tors. theta energy: -144.702
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: 9, replica: 3
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -1879.016867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.016867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.433007 (E_RNA)
where:
Base-Base interactions energy: -1264.046
where: short stacking energy: -521.685
Base-Backbone interact. energy: -3.067
local terms energy: -614.320049
where:
bonds (distance) C4'-P energy: -131.768
bonds (distance) P-C4' energy: -137.057
flat angles C4'-P-C4' energy: -134.251
flat angles P-C4'-P energy: -89.726
tors. eta vs tors. theta energy: -121.518
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: 6
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -1827.835461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.835461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.235847 (E_RNA)
where:
Base-Base interactions energy: -1268.640
where: short stacking energy: -523.895
Base-Backbone interact. energy: -2.020
local terms energy: -560.575744
where:
bonds (distance) C4'-P energy: -96.855
bonds (distance) P-C4' energy: -120.901
flat angles C4'-P-C4' energy: -129.631
flat angles P-C4'-P energy: -74.785
tors. eta vs tors. theta energy: -138.404
Dist. restrs. and SS energy: 3.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -2843.022772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.022772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.997886 (E_RNA)
where:
Base-Base interactions energy: -1982.078
where: short stacking energy: -831.770
Base-Backbone interact. energy: 0.814
local terms energy: -862.734217
where:
bonds (distance) C4'-P energy: -149.510
bonds (distance) P-C4' energy: -159.070
flat angles C4'-P-C4' energy: -182.660
flat angles P-C4'-P energy: -130.611
tors. eta vs tors. theta energy: -240.882
Dist. restrs. and SS energy: 0.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -2675.061227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.061227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.341797 (E_RNA)
where:
Base-Base interactions energy: -1802.288
where: short stacking energy: -799.417
Base-Backbone interact. energy: -2.324
local terms energy: -871.729951
where:
bonds (distance) C4'-P energy: -160.894
bonds (distance) P-C4' energy: -169.686
flat angles C4'-P-C4' energy: -175.684
flat angles P-C4'-P energy: -129.429
tors. eta vs tors. theta energy: -236.037
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: 2
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -2573.068149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.068149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.623843 (E_RNA)
where:
Base-Base interactions energy: -1743.565
where: short stacking energy: -786.808
Base-Backbone interact. energy: 1.170
local terms energy: -832.229321
where:
bonds (distance) C4'-P energy: -162.049
bonds (distance) P-C4' energy: -158.342
flat angles C4'-P-C4' energy: -161.969
flat angles P-C4'-P energy: -120.170
tors. eta vs tors. theta energy: -229.699
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: 4, replica: 4
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -2416.961691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.961691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.579569 (E_RNA)
where:
Base-Base interactions energy: -1627.400
where: short stacking energy: -700.444
Base-Backbone interact. energy: -1.454
local terms energy: -789.725922
where:
bonds (distance) C4'-P energy: -139.584
bonds (distance) P-C4' energy: -178.952
flat angles C4'-P-C4' energy: -173.890
flat angles P-C4'-P energy: -108.567
tors. eta vs tors. theta energy: -188.732
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: 5, replica: 7
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -2260.595837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.595837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.203614 (E_RNA)
where:
Base-Base interactions energy: -1519.531
where: short stacking energy: -650.835
Base-Backbone interact. energy: 8.008
local terms energy: -750.681118
where:
bonds (distance) C4'-P energy: -153.332
bonds (distance) P-C4' energy: -159.032
flat angles C4'-P-C4' energy: -153.045
flat angles P-C4'-P energy: -101.995
tors. eta vs tors. theta energy: -183.276
Dist. restrs. and SS energy: 1.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -2200.197398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.197398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.851795 (E_RNA)
where:
Base-Base interactions energy: -1475.087
where: short stacking energy: -623.910
Base-Backbone interact. energy: -6.954
local terms energy: -719.810474
where:
bonds (distance) C4'-P energy: -141.315
bonds (distance) P-C4' energy: -132.086
flat angles C4'-P-C4' energy: -161.815
flat angles P-C4'-P energy: -115.880
tors. eta vs tors. theta energy: -168.714
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: 147
Temperature: 1.200000
Total energy: -2131.722497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.722497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.104679 (E_RNA)
where:
Base-Base interactions energy: -1486.564
where: short stacking energy: -597.731
Base-Backbone interact. energy: -2.111
local terms energy: -645.429838
where:
bonds (distance) C4'-P energy: -115.389
bonds (distance) P-C4' energy: -143.572
flat angles C4'-P-C4' energy: -154.043
flat angles P-C4'-P energy: -76.020
tors. eta vs tors. theta energy: -156.406
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: 8, replica: 5
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -1974.243439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.243439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.875215 (E_RNA)
where:
Base-Base interactions energy: -1348.224
where: short stacking energy: -570.268
Base-Backbone interact. energy: -1.356
local terms energy: -628.295735
where:
bonds (distance) C4'-P energy: -129.512
bonds (distance) P-C4' energy: -139.666
flat angles C4'-P-C4' energy: -141.172
flat angles P-C4'-P energy: -80.699
tors. eta vs tors. theta energy: -137.247
Dist. restrs. and SS energy: 3.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -1875.866067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.866067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.717889 (E_RNA)
where:
Base-Base interactions energy: -1260.110
where: short stacking energy: -539.547
Base-Backbone interact. energy: 0.096
local terms energy: -620.703350
where:
bonds (distance) C4'-P energy: -125.950
bonds (distance) P-C4' energy: -135.243
flat angles C4'-P-C4' energy: -147.890
flat angles P-C4'-P energy: -75.171
tors. eta vs tors. theta energy: -136.450
Dist. restrs. and SS energy: 4.852 (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: 6
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -1838.811948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.811948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.324272 (E_RNA)
where:
Base-Base interactions energy: -1248.490
where: short stacking energy: -501.408
Base-Backbone interact. energy: -1.760
local terms energy: -592.075093
where:
bonds (distance) C4'-P energy: -114.273
bonds (distance) P-C4' energy: -138.698
flat angles C4'-P-C4' energy: -156.441
flat angles P-C4'-P energy: -68.057
tors. eta vs tors. theta energy: -114.606
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: 1, replica: 9
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -2848.503408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2848.503408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2849.929334 (E_RNA)
where:
Base-Base interactions energy: -1969.253
where: short stacking energy: -840.646
Base-Backbone interact. energy: 3.335
local terms energy: -884.011613
where:
bonds (distance) C4'-P energy: -157.314
bonds (distance) P-C4' energy: -159.618
flat angles C4'-P-C4' energy: -184.816
flat angles P-C4'-P energy: -125.586
tors. eta vs tors. theta energy: -256.678
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: 2, replica: 10
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -2672.617882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.617882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.415228 (E_RNA)
where:
Base-Base interactions energy: -1831.932
where: short stacking energy: -820.791
Base-Backbone interact. energy: -2.028
local terms energy: -840.455276
where:
bonds (distance) C4'-P energy: -146.945
bonds (distance) P-C4' energy: -154.832
flat angles C4'-P-C4' energy: -181.774
flat angles P-C4'-P energy: -128.736
tors. eta vs tors. theta energy: -228.168
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: 3, replica: 2
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -2571.097107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.097107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.690395 (E_RNA)
where:
Base-Base interactions energy: -1776.491
where: short stacking energy: -763.052
Base-Backbone interact. energy: -2.123
local terms energy: -795.076135
where:
bonds (distance) C4'-P energy: -149.517
bonds (distance) P-C4' energy: -143.549
flat angles C4'-P-C4' energy: -173.581
flat angles P-C4'-P energy: -114.009
tors. eta vs tors. theta energy: -214.421
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: 4, replica: 4
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -2435.972440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.972440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.073417 (E_RNA)
where:
Base-Base interactions energy: -1656.849
where: short stacking energy: -722.590
Base-Backbone interact. energy: 2.424
local terms energy: -782.648273
where:
bonds (distance) C4'-P energy: -145.011
bonds (distance) P-C4' energy: -148.797
flat angles C4'-P-C4' energy: -165.087
flat angles P-C4'-P energy: -121.173
tors. eta vs tors. theta energy: -202.581
Dist. restrs. and SS energy: 1.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -2270.713346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.713346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.987355 (E_RNA)
where:
Base-Base interactions energy: -1540.658
where: short stacking energy: -662.572
Base-Backbone interact. energy: 1.076
local terms energy: -733.406010
where:
bonds (distance) C4'-P energy: -141.349
bonds (distance) P-C4' energy: -152.059
flat angles C4'-P-C4' energy: -161.836
flat angles P-C4'-P energy: -111.400
tors. eta vs tors. theta energy: -166.762
Dist. restrs. and SS energy: 2.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -2222.401753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.401753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.587918 (E_RNA)
where:
Base-Base interactions energy: -1493.354
where: short stacking energy: -652.607
Base-Backbone interact. energy: -0.472
local terms energy: -730.761941
where:
bonds (distance) C4'-P energy: -142.883
bonds (distance) P-C4' energy: -140.690
flat angles C4'-P-C4' energy: -174.359
flat angles P-C4'-P energy: -96.068
tors. eta vs tors. theta energy: -176.761
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: 7, replica: 8
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -2088.846310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.846310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.162456 (E_RNA)
where:
Base-Base interactions energy: -1377.426
where: short stacking energy: -606.699
Base-Backbone interact. energy: -1.069
local terms energy: -713.667409
where:
bonds (distance) C4'-P energy: -143.825
bonds (distance) P-C4' energy: -144.209
flat angles C4'-P-C4' energy: -167.473
flat angles P-C4'-P energy: -99.927
tors. eta vs tors. theta energy: -158.235
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: 8, replica: 5
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -1973.506748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.506748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.395057 (E_RNA)
where:
Base-Base interactions energy: -1336.003
where: short stacking energy: -585.161
Base-Backbone interact. energy: -2.105
local terms energy: -639.286299
where:
bonds (distance) C4'-P energy: -133.659
bonds (distance) P-C4' energy: -117.295
flat angles C4'-P-C4' energy: -149.580
flat angles P-C4'-P energy: -93.183
tors. eta vs tors. theta energy: -145.570
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: 9, replica: 3
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -1911.101695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.101695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.619332 (E_RNA)
where:
Base-Base interactions energy: -1268.408
where: short stacking energy: -525.539
Base-Backbone interact. energy: -0.398
local terms energy: -645.812587
where:
bonds (distance) C4'-P energy: -129.642
bonds (distance) P-C4' energy: -138.491
flat angles C4'-P-C4' energy: -146.175
flat angles P-C4'-P energy: -100.335
tors. eta vs tors. theta energy: -131.170
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: 10, replica: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -1857.198520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.198520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.476789 (E_RNA)
where:
Base-Base interactions energy: -1272.884
where: short stacking energy: -557.475
Base-Backbone interact. energy: -0.735
local terms energy: -586.857631
where:
bonds (distance) C4'-P energy: -118.236
bonds (distance) P-C4' energy: -118.588
flat angles C4'-P-C4' energy: -137.402
flat angles P-C4'-P energy: -77.667
tors. eta vs tors. theta energy: -134.964
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: 1, replica: 9
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -2849.292476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2849.292476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2851.184529 (E_RNA)
where:
Base-Base interactions energy: -1955.524
where: short stacking energy: -834.266
Base-Backbone interact. energy: -3.647
local terms energy: -892.013407
where:
bonds (distance) C4'-P energy: -161.091
bonds (distance) P-C4' energy: -171.261
flat angles C4'-P-C4' energy: -187.613
flat angles P-C4'-P energy: -126.202
tors. eta vs tors. theta energy: -245.846
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: 2, replica: 10
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -2689.596001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.596001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.716776 (E_RNA)
where:
Base-Base interactions energy: -1819.934
where: short stacking energy: -814.880
Base-Backbone interact. energy: -1.990
local terms energy: -868.792453
where:
bonds (distance) C4'-P energy: -165.471
bonds (distance) P-C4' energy: -163.945
flat angles C4'-P-C4' energy: -175.838
flat angles P-C4'-P energy: -120.802
tors. eta vs tors. theta energy: -242.736
Dist. restrs. and SS energy: 1.121 (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: 2
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -2564.437504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.437504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.533563 (E_RNA)
where:
Base-Base interactions energy: -1765.459
where: short stacking energy: -801.396
Base-Backbone interact. energy: -3.236
local terms energy: -796.838928
where:
bonds (distance) C4'-P energy: -145.352
bonds (distance) P-C4' energy: -147.880
flat angles C4'-P-C4' energy: -160.937
flat angles P-C4'-P energy: -109.894
tors. eta vs tors. theta energy: -232.775
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: 4, replica: 4
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -2389.745681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.745681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.177860 (E_RNA)
where:
Base-Base interactions energy: -1597.553
where: short stacking energy: -728.204
Base-Backbone interact. energy: -2.677
local terms energy: -791.948526
where:
bonds (distance) C4'-P energy: -155.285
bonds (distance) P-C4' energy: -139.695
flat angles C4'-P-C4' energy: -181.732
flat angles P-C4'-P energy: -111.348
tors. eta vs tors. theta energy: -203.888
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: 5, replica: 7
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -2274.723529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.723529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.915700 (E_RNA)
where:
Base-Base interactions energy: -1516.346
where: short stacking energy: -662.801
Base-Backbone interact. energy: -2.663
local terms energy: -757.906383
where:
bonds (distance) C4'-P energy: -131.495
bonds (distance) P-C4' energy: -149.118
flat angles C4'-P-C4' energy: -158.459
flat angles P-C4'-P energy: -128.787
tors. eta vs tors. theta energy: -190.047
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: 1
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -2186.887383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.887383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.825361 (E_RNA)
where:
Base-Base interactions energy: -1470.639
where: short stacking energy: -659.435
Base-Backbone interact. energy: -0.609
local terms energy: -717.578045
where:
bonds (distance) C4'-P energy: -140.580
bonds (distance) P-C4' energy: -143.618
flat angles C4'-P-C4' energy: -153.942
flat angles P-C4'-P energy: -98.751
tors. eta vs tors. theta energy: -180.686
Dist. restrs. and SS energy: 1.938 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -2121.299881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.299881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.815981 (E_RNA)
where:
Base-Base interactions energy: -1418.804
where: short stacking energy: -602.914
Base-Backbone interact. energy: 1.549
local terms energy: -706.561249
where:
bonds (distance) C4'-P energy: -149.016
bonds (distance) P-C4' energy: -145.823
flat angles C4'-P-C4' energy: -154.689
flat angles P-C4'-P energy: -94.352
tors. eta vs tors. theta energy: -162.681
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: 5
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -1965.396263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.396263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.452114 (E_RNA)
where:
Base-Base interactions energy: -1322.110
where: short stacking energy: -553.210
Base-Backbone interact. energy: 3.023
local terms energy: -648.364923
where:
bonds (distance) C4'-P energy: -138.862
bonds (distance) P-C4' energy: -135.500
flat angles C4'-P-C4' energy: -152.736
flat angles P-C4'-P energy: -95.282
tors. eta vs tors. theta energy: -125.984
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: 9, replica: 3
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -1876.330825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.330825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.244581 (E_RNA)
where:
Base-Base interactions energy: -1290.703
where: short stacking energy: -547.243
Base-Backbone interact. energy: -2.086
local terms energy: -590.455620
where:
bonds (distance) C4'-P energy: -116.296
bonds (distance) P-C4' energy: -132.506
flat angles C4'-P-C4' energy: -128.459
flat angles P-C4'-P energy: -81.488
tors. eta vs tors. theta energy: -131.707
Dist. restrs. and SS energy: 6.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -1861.854590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.854590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.814556 (E_RNA)
where:
Base-Base interactions energy: -1236.965
where: short stacking energy: -502.655
Base-Backbone interact. energy: 7.332
local terms energy: -635.181530
where:
bonds (distance) C4'-P energy: -134.901
bonds (distance) P-C4' energy: -162.182
flat angles C4'-P-C4' energy: -124.695
flat angles P-C4'-P energy: -78.606
tors. eta vs tors. theta energy: -134.797
Dist. restrs. and SS energy: 2.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -2828.547454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2828.547454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2831.375515 (E_RNA)
where:
Base-Base interactions energy: -1955.381
where: short stacking energy: -829.389
Base-Backbone interact. energy: 2.084
local terms energy: -878.079073
where:
bonds (distance) C4'-P energy: -161.731
bonds (distance) P-C4' energy: -166.269
flat angles C4'-P-C4' energy: -182.932
flat angles P-C4'-P energy: -126.311
tors. eta vs tors. theta energy: -240.836
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: 10
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -2688.635209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.635209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.278949 (E_RNA)
where:
Base-Base interactions energy: -1830.428
where: short stacking energy: -771.704
Base-Backbone interact. energy: 2.852
local terms energy: -862.702923
where:
bonds (distance) C4'-P energy: -151.831
bonds (distance) P-C4' energy: -168.754
flat angles C4'-P-C4' energy: -187.414
flat angles P-C4'-P energy: -121.262
tors. eta vs tors. theta energy: -233.441
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: 3, replica: 2
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -2540.328091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.328091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.899464 (E_RNA)
where:
Base-Base interactions energy: -1746.236
where: short stacking energy: -760.909
Base-Backbone interact. energy: -2.387
local terms energy: -793.276470
where:
bonds (distance) C4'-P energy: -151.259
bonds (distance) P-C4' energy: -142.050
flat angles C4'-P-C4' energy: -169.774
flat angles P-C4'-P energy: -108.725
tors. eta vs tors. theta energy: -221.469
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: 4, replica: 4
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -2405.399952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.399952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.584566 (E_RNA)
where:
Base-Base interactions energy: -1599.030
where: short stacking energy: -692.739
Base-Backbone interact. energy: 0.713
local terms energy: -809.267543
where:
bonds (distance) C4'-P energy: -159.909
bonds (distance) P-C4' energy: -152.992
flat angles C4'-P-C4' energy: -173.171
flat angles P-C4'-P energy: -111.774
tors. eta vs tors. theta energy: -211.421
Dist. restrs. and SS energy: 2.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -2321.137313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.137313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.088421 (E_RNA)
where:
Base-Base interactions energy: -1539.571
where: short stacking energy: -681.252
Base-Backbone interact. energy: -1.358
local terms energy: -783.158848
where:
bonds (distance) C4'-P energy: -150.987
bonds (distance) P-C4' energy: -143.312
flat angles C4'-P-C4' energy: -160.028
flat angles P-C4'-P energy: -121.756
tors. eta vs tors. theta energy: -207.075
Dist. restrs. and SS energy: 2.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -2180.206663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.206663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.461066 (E_RNA)
where:
Base-Base interactions energy: -1473.874
where: short stacking energy: -628.203
Base-Backbone interact. energy: 0.858
local terms energy: -710.445468
where:
bonds (distance) C4'-P energy: -140.722
bonds (distance) P-C4' energy: -139.696
flat angles C4'-P-C4' energy: -144.725
flat angles P-C4'-P energy: -115.300
tors. eta vs tors. theta energy: -170.002
Dist. restrs. and SS energy: 3.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -2119.397543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.397543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.399854 (E_RNA)
where:
Base-Base interactions energy: -1413.385
where: short stacking energy: -578.943
Base-Backbone interact. energy: -1.814
local terms energy: -706.200675
where:
bonds (distance) C4'-P energy: -137.496
bonds (distance) P-C4' energy: -127.572
flat angles C4'-P-C4' energy: -157.887
flat angles P-C4'-P energy: -105.137
tors. eta vs tors. theta energy: -178.108
Dist. restrs. and SS energy: 2.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -1959.471211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.471211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.611580 (E_RNA)
where:
Base-Base interactions energy: -1302.328
where: short stacking energy: -573.828
Base-Backbone interact. energy: -1.340
local terms energy: -662.943346
where:
bonds (distance) C4'-P energy: -118.981
bonds (distance) P-C4' energy: -153.853
flat angles C4'-P-C4' energy: -150.279
flat angles P-C4'-P energy: -94.256
tors. eta vs tors. theta energy: -145.574
Dist. restrs. and SS energy: 7.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -1886.829532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.829532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.406978 (E_RNA)
where:
Base-Base interactions energy: -1247.248
where: short stacking energy: -540.633
Base-Backbone interact. energy: -1.590
local terms energy: -644.568708
where:
bonds (distance) C4'-P energy: -131.116
bonds (distance) P-C4' energy: -128.160
flat angles C4'-P-C4' energy: -147.312
flat angles P-C4'-P energy: -90.518
tors. eta vs tors. theta energy: -147.463
Dist. restrs. and SS energy: 6.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -1793.909641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.909641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.899584 (E_RNA)
where:
Base-Base interactions energy: -1216.285
where: short stacking energy: -531.653
Base-Backbone interact. energy: -1.917
local terms energy: -579.698021
where:
bonds (distance) C4'-P energy: -100.866
bonds (distance) P-C4' energy: -139.496
flat angles C4'-P-C4' energy: -138.229
flat angles P-C4'-P energy: -81.357
tors. eta vs tors. theta energy: -119.749
Dist. restrs. and SS energy: 3.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -2853.214788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2853.214788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2854.377859 (E_RNA)
where:
Base-Base interactions energy: -1970.147
where: short stacking energy: -833.666
Base-Backbone interact. energy: -2.735
local terms energy: -881.495739
where:
bonds (distance) C4'-P energy: -156.302
bonds (distance) P-C4' energy: -158.650
flat angles C4'-P-C4' energy: -180.319
flat angles P-C4'-P energy: -129.767
tors. eta vs tors. theta energy: -256.457
Dist. restrs. and SS energy: 1.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -2678.632613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.632613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.692451 (E_RNA)
where:
Base-Base interactions energy: -1838.949
where: short stacking energy: -806.433
Base-Backbone interact. energy: -2.791
local terms energy: -838.952189
where:
bonds (distance) C4'-P energy: -136.954
bonds (distance) P-C4' energy: -153.336
flat angles C4'-P-C4' energy: -175.600
flat angles P-C4'-P energy: -132.877
tors. eta vs tors. theta energy: -240.185
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: 3, replica: 2
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -2530.593404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.593404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.386096 (E_RNA)
where:
Base-Base interactions energy: -1715.230
where: short stacking energy: -756.382
Base-Backbone interact. energy: -1.594
local terms energy: -815.562431
where:
bonds (distance) C4'-P energy: -154.593
bonds (distance) P-C4' energy: -158.572
flat angles C4'-P-C4' energy: -167.819
flat angles P-C4'-P energy: -109.640
tors. eta vs tors. theta energy: -224.938
Dist. restrs. and SS energy: 1.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -2407.803396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.803396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.288418 (E_RNA)
where:
Base-Base interactions energy: -1619.125
where: short stacking energy: -728.435
Base-Backbone interact. energy: -3.349
local terms energy: -786.815242
where:
bonds (distance) C4'-P energy: -143.953
bonds (distance) P-C4' energy: -150.702
flat angles C4'-P-C4' energy: -179.579
flat angles P-C4'-P energy: -107.952
tors. eta vs tors. theta energy: -204.629
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: 7
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -2292.868461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.868461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.630784 (E_RNA)
where:
Base-Base interactions energy: -1547.099
where: short stacking energy: -657.663
Base-Backbone interact. energy: -3.233
local terms energy: -745.298763
where:
bonds (distance) C4'-P energy: -153.222
bonds (distance) P-C4' energy: -147.852
flat angles C4'-P-C4' energy: -160.787
flat angles P-C4'-P energy: -97.656
tors. eta vs tors. theta energy: -185.782
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: 6, replica: 1
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -2162.167613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.167613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.528315 (E_RNA)
where:
Base-Base interactions energy: -1447.135
where: short stacking energy: -608.748
Base-Backbone interact. energy: -0.075
local terms energy: -717.318351
where:
bonds (distance) C4'-P energy: -148.466
bonds (distance) P-C4' energy: -137.979
flat angles C4'-P-C4' energy: -151.833
flat angles P-C4'-P energy: -109.966
tors. eta vs tors. theta energy: -169.074
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: 7, replica: 8
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -2076.283365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.283365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.098341 (E_RNA)
where:
Base-Base interactions energy: -1402.118
where: short stacking energy: -601.521
Base-Backbone interact. energy: -0.410
local terms energy: -676.570315
where:
bonds (distance) C4'-P energy: -131.413
bonds (distance) P-C4' energy: -133.850
flat angles C4'-P-C4' energy: -143.051
flat angles P-C4'-P energy: -102.220
tors. eta vs tors. theta energy: -166.036
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: 8, replica: 5
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -1999.039663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.039663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.335320 (E_RNA)
where:
Base-Base interactions energy: -1360.439
where: short stacking energy: -573.408
Base-Backbone interact. energy: -2.416
local terms energy: -638.480362
where:
bonds (distance) C4'-P energy: -135.274
bonds (distance) P-C4' energy: -126.830
flat angles C4'-P-C4' energy: -133.990
flat angles P-C4'-P energy: -92.701
tors. eta vs tors. theta energy: -149.685
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: 9, replica: 6
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -1903.339191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.339191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.230022 (E_RNA)
where:
Base-Base interactions energy: -1285.509
where: short stacking energy: -528.053
Base-Backbone interact. energy: -1.275
local terms energy: -619.445758
where:
bonds (distance) C4'-P energy: -122.532
bonds (distance) P-C4' energy: -140.316
flat angles C4'-P-C4' energy: -139.241
flat angles P-C4'-P energy: -82.531
tors. eta vs tors. theta energy: -134.826
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: 10, replica: 3
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -1816.957482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.957482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.584505 (E_RNA)
where:
Base-Base interactions energy: -1254.399
where: short stacking energy: -541.258
Base-Backbone interact. energy: 3.801
local terms energy: -569.986812
where:
bonds (distance) C4'-P energy: -85.039
bonds (distance) P-C4' energy: -118.582
flat angles C4'-P-C4' energy: -134.735
flat angles P-C4'-P energy: -99.795
tors. eta vs tors. theta energy: -131.836
Dist. restrs. and SS energy: 3.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -2923.644125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2923.644125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2924.744196 (E_RNA)
where:
Base-Base interactions energy: -2014.545
where: short stacking energy: -865.195
Base-Backbone interact. energy: -2.844
local terms energy: -907.355559
where:
bonds (distance) C4'-P energy: -160.602
bonds (distance) P-C4' energy: -179.513
flat angles C4'-P-C4' energy: -169.287
flat angles P-C4'-P energy: -132.427
tors. eta vs tors. theta energy: -265.526
Dist. restrs. and SS energy: 1.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -2671.677537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.677537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.235515 (E_RNA)
where:
Base-Base interactions energy: -1811.477
where: short stacking energy: -778.605
Base-Backbone interact. energy: -3.825
local terms energy: -858.933775
where:
bonds (distance) C4'-P energy: -161.529
bonds (distance) P-C4' energy: -165.551
flat angles C4'-P-C4' energy: -171.887
flat angles P-C4'-P energy: -123.525
tors. eta vs tors. theta energy: -236.441
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: 3, replica: 2
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -2544.180317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.180317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.707484 (E_RNA)
where:
Base-Base interactions energy: -1706.453
where: short stacking energy: -707.372
Base-Backbone interact. energy: 2.480
local terms energy: -840.734492
where:
bonds (distance) C4'-P energy: -164.516
bonds (distance) P-C4' energy: -164.635
flat angles C4'-P-C4' energy: -183.952
flat angles P-C4'-P energy: -116.154
tors. eta vs tors. theta energy: -211.477
Dist. restrs. and SS energy: 0.527 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -2388.412495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.412495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.225092 (E_RNA)
where:
Base-Base interactions energy: -1628.753
where: short stacking energy: -710.857
Base-Backbone interact. energy: -1.349
local terms energy: -760.123965
where:
bonds (distance) C4'-P energy: -143.603
bonds (distance) P-C4' energy: -148.090
flat angles C4'-P-C4' energy: -163.833
flat angles P-C4'-P energy: -101.686
tors. eta vs tors. theta energy: -202.913
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: 5, replica: 7
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -2278.607734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.607734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.459349 (E_RNA)
where:
Base-Base interactions energy: -1561.967
where: short stacking energy: -680.448
Base-Backbone interact. energy: 0.166
local terms energy: -719.657900
where:
bonds (distance) C4'-P energy: -129.180
bonds (distance) P-C4' energy: -160.222
flat angles C4'-P-C4' energy: -167.706
flat angles P-C4'-P energy: -82.047
tors. eta vs tors. theta energy: -180.502
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: 1
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -2186.810456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.810456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.342220 (E_RNA)
where:
Base-Base interactions energy: -1463.310
where: short stacking energy: -642.140
Base-Backbone interact. energy: -2.498
local terms energy: -722.534239
where:
bonds (distance) C4'-P energy: -154.176
bonds (distance) P-C4' energy: -143.095
flat angles C4'-P-C4' energy: -155.088
flat angles P-C4'-P energy: -86.807
tors. eta vs tors. theta energy: -183.368
Dist. restrs. and SS energy: 1.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -2069.846005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.846005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.853117 (E_RNA)
where:
Base-Base interactions energy: -1412.401
where: short stacking energy: -575.578
Base-Backbone interact. energy: -1.718
local terms energy: -659.733786
where:
bonds (distance) C4'-P energy: -141.995
bonds (distance) P-C4' energy: -134.375
flat angles C4'-P-C4' energy: -155.631
flat angles P-C4'-P energy: -81.710
tors. eta vs tors. theta energy: -146.022
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: 8, replica: 5
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -2036.947624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.947624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.908314 (E_RNA)
where:
Base-Base interactions energy: -1358.978
where: short stacking energy: -576.042
Base-Backbone interact. energy: 2.310
local terms energy: -682.241023
where:
bonds (distance) C4'-P energy: -141.381
bonds (distance) P-C4' energy: -137.315
flat angles C4'-P-C4' energy: -152.269
flat angles P-C4'-P energy: -108.163
tors. eta vs tors. theta energy: -143.112
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: 9, replica: 6
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -1909.845547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.845547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.491039 (E_RNA)
where:
Base-Base interactions energy: -1257.165
where: short stacking energy: -520.221
Base-Backbone interact. energy: 0.840
local terms energy: -656.166038
where:
bonds (distance) C4'-P energy: -137.276
bonds (distance) P-C4' energy: -132.345
flat angles C4'-P-C4' energy: -151.505
flat angles P-C4'-P energy: -86.698
tors. eta vs tors. theta energy: -148.341
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: 3
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -1837.494989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.494989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.649245 (E_RNA)
where:
Base-Base interactions energy: -1267.193
where: short stacking energy: -526.763
Base-Backbone interact. energy: -2.093
local terms energy: -574.362774
where:
bonds (distance) C4'-P energy: -111.351
bonds (distance) P-C4' energy: -125.263
flat angles C4'-P-C4' energy: -126.053
flat angles P-C4'-P energy: -86.603
tors. eta vs tors. theta energy: -125.093
Dist. restrs. and SS energy: 6.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -2892.790258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2892.790258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2893.875796 (E_RNA)
where:
Base-Base interactions energy: -1997.778
where: short stacking energy: -864.059
Base-Backbone interact. energy: 1.213
local terms energy: -897.310946
where:
bonds (distance) C4'-P energy: -163.634
bonds (distance) P-C4' energy: -163.104
flat angles C4'-P-C4' energy: -192.229
flat angles P-C4'-P energy: -120.010
tors. eta vs tors. theta energy: -258.334
Dist. restrs. and SS energy: 1.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -2721.375291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.375291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.691950 (E_RNA)
where:
Base-Base interactions energy: -1836.537
where: short stacking energy: -817.406
Base-Backbone interact. energy: -3.421
local terms energy: -884.733235
where:
bonds (distance) C4'-P energy: -154.769
bonds (distance) P-C4' energy: -177.486
flat angles C4'-P-C4' energy: -176.389
flat angles P-C4'-P energy: -127.058
tors. eta vs tors. theta energy: -249.031
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: 3, replica: 2
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -2574.698139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.698139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.529843 (E_RNA)
where:
Base-Base interactions energy: -1736.704
where: short stacking energy: -758.806
Base-Backbone interact. energy: -0.878
local terms energy: -838.947757
where:
bonds (distance) C4'-P energy: -168.512
bonds (distance) P-C4' energy: -167.370
flat angles C4'-P-C4' energy: -179.051
flat angles P-C4'-P energy: -119.813
tors. eta vs tors. theta energy: -204.202
Dist. restrs. and SS energy: 1.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -2399.988438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.988438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.092746 (E_RNA)
where:
Base-Base interactions energy: -1608.933
where: short stacking energy: -728.220
Base-Backbone interact. energy: 2.949
local terms energy: -796.107944
where:
bonds (distance) C4'-P energy: -157.131
bonds (distance) P-C4' energy: -147.675
flat angles C4'-P-C4' energy: -171.637
flat angles P-C4'-P energy: -111.024
tors. eta vs tors. theta energy: -208.641
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: 5, replica: 7
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -2285.858136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.858136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.094502 (E_RNA)
where:
Base-Base interactions energy: -1530.749
where: short stacking energy: -665.091
Base-Backbone interact. energy: -1.964
local terms energy: -755.382351
where:
bonds (distance) C4'-P energy: -149.265
bonds (distance) P-C4' energy: -150.107
flat angles C4'-P-C4' energy: -162.587
flat angles P-C4'-P energy: -103.062
tors. eta vs tors. theta energy: -190.362
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: 6, replica: 8
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -2183.034543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.034543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.945529 (E_RNA)
where:
Base-Base interactions energy: -1477.857
where: short stacking energy: -637.746
Base-Backbone interact. energy: 0.903
local terms energy: -707.991386
where:
bonds (distance) C4'-P energy: -139.442
bonds (distance) P-C4' energy: -129.220
flat angles C4'-P-C4' energy: -161.889
flat angles P-C4'-P energy: -103.567
tors. eta vs tors. theta energy: -173.872
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: 7, replica: 1
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -2122.458779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.458779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.800336 (E_RNA)
where:
Base-Base interactions energy: -1438.920
where: short stacking energy: -633.738
Base-Backbone interact. energy: 2.239
local terms energy: -688.119290
where:
bonds (distance) C4'-P energy: -134.975
bonds (distance) P-C4' energy: -124.382
flat angles C4'-P-C4' energy: -161.587
flat angles P-C4'-P energy: -84.791
tors. eta vs tors. theta energy: -182.384
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: 8, replica: 5
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -2017.088850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.088850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.892231 (E_RNA)
where:
Base-Base interactions energy: -1389.985
where: short stacking energy: -614.338
Base-Backbone interact. energy: 3.106
local terms energy: -633.013230
where:
bonds (distance) C4'-P energy: -119.731
bonds (distance) P-C4' energy: -125.172
flat angles C4'-P-C4' energy: -154.801
flat angles P-C4'-P energy: -80.969
tors. eta vs tors. theta energy: -152.341
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: 9, replica: 6
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -1894.632175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.632175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.015076 (E_RNA)
where:
Base-Base interactions energy: -1293.130
where: short stacking energy: -542.743
Base-Backbone interact. energy: -0.634
local terms energy: -603.250859
where:
bonds (distance) C4'-P energy: -136.087
bonds (distance) P-C4' energy: -111.936
flat angles C4'-P-C4' energy: -127.814
flat angles P-C4'-P energy: -80.655
tors. eta vs tors. theta energy: -146.759
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: 10, replica: 3
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -1836.003169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.003169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.055477 (E_RNA)
where:
Base-Base interactions energy: -1217.615
where: short stacking energy: -523.249
Base-Backbone interact. energy: -0.754
local terms energy: -623.686046
where:
bonds (distance) C4'-P energy: -113.253
bonds (distance) P-C4' energy: -136.223
flat angles C4'-P-C4' energy: -153.205
flat angles P-C4'-P energy: -82.910
tors. eta vs tors. theta energy: -138.095
Dist. restrs. and SS energy: 6.052 (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: 154
Temperature: 0.900000
Total energy: -2855.861808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2855.861808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2856.536475 (E_RNA)
where:
Base-Base interactions energy: -1991.378
where: short stacking energy: -849.231
Base-Backbone interact. energy: 1.082
local terms energy: -866.239652
where:
bonds (distance) C4'-P energy: -142.789
bonds (distance) P-C4' energy: -158.820
flat angles C4'-P-C4' energy: -185.081
flat angles P-C4'-P energy: -128.585
tors. eta vs tors. theta energy: -250.965
Dist. restrs. and SS energy: 0.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -2680.525962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.525962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.883758 (E_RNA)
where:
Base-Base interactions energy: -1827.192
where: short stacking energy: -801.173
Base-Backbone interact. energy: -1.200
local terms energy: -854.492285
where:
bonds (distance) C4'-P energy: -152.798
bonds (distance) P-C4' energy: -169.033
flat angles C4'-P-C4' energy: -179.218
flat angles P-C4'-P energy: -113.100
tors. eta vs tors. theta energy: -240.343
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: 3, replica: 2
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -2571.280023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.280023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.782741 (E_RNA)
where:
Base-Base interactions energy: -1730.698
where: short stacking energy: -767.128
Base-Backbone interact. energy: -4.015
local terms energy: -838.069693
where:
bonds (distance) C4'-P energy: -141.999
bonds (distance) P-C4' energy: -155.991
flat angles C4'-P-C4' energy: -182.620
flat angles P-C4'-P energy: -126.268
tors. eta vs tors. theta energy: -231.191
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: 4
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -2422.297450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.297450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.594978 (E_RNA)
where:
Base-Base interactions energy: -1639.974
where: short stacking energy: -717.433
Base-Backbone interact. energy: -0.175
local terms energy: -783.446010
where:
bonds (distance) C4'-P energy: -161.920
bonds (distance) P-C4' energy: -150.232
flat angles C4'-P-C4' energy: -162.567
flat angles P-C4'-P energy: -111.678
tors. eta vs tors. theta energy: -197.049
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: 5, replica: 7
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -2290.593547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.593547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.914704 (E_RNA)
where:
Base-Base interactions energy: -1531.958
where: short stacking energy: -683.032
Base-Backbone interact. energy: -4.607
local terms energy: -755.350173
where:
bonds (distance) C4'-P energy: -148.817
bonds (distance) P-C4' energy: -141.745
flat angles C4'-P-C4' energy: -161.957
flat angles P-C4'-P energy: -101.540
tors. eta vs tors. theta energy: -201.290
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: 6, replica: 8
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -2182.001548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.001548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.614823 (E_RNA)
where:
Base-Base interactions energy: -1471.295
where: short stacking energy: -639.287
Base-Backbone interact. energy: -2.316
local terms energy: -716.003312
where:
bonds (distance) C4'-P energy: -139.071
bonds (distance) P-C4' energy: -143.380
flat angles C4'-P-C4' energy: -159.071
flat angles P-C4'-P energy: -104.522
tors. eta vs tors. theta energy: -169.961
Dist. restrs. and SS energy: 7.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -2095.048332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.048332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.814661 (E_RNA)
where:
Base-Base interactions energy: -1413.784
where: short stacking energy: -636.051
Base-Backbone interact. energy: -2.668
local terms energy: -682.362905
where:
bonds (distance) C4'-P energy: -119.157
bonds (distance) P-C4' energy: -149.986
flat angles C4'-P-C4' energy: -165.302
flat angles P-C4'-P energy: -91.511
tors. eta vs tors. theta energy: -156.407
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: 8, replica: 5
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -1992.272594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.272594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.615187 (E_RNA)
where:
Base-Base interactions energy: -1336.204
where: short stacking energy: -563.376
Base-Backbone interact. energy: 3.012
local terms energy: -664.423438
where:
bonds (distance) C4'-P energy: -140.343
bonds (distance) P-C4' energy: -126.891
flat angles C4'-P-C4' energy: -146.880
flat angles P-C4'-P energy: -98.171
tors. eta vs tors. theta energy: -152.139
Dist. restrs. and SS energy: 5.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -1913.759386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.759386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.749513 (E_RNA)
where:
Base-Base interactions energy: -1315.289
where: short stacking energy: -547.881
Base-Backbone interact. energy: -0.998
local terms energy: -600.462433
where:
bonds (distance) C4'-P energy: -127.432
bonds (distance) P-C4' energy: -113.488
flat angles C4'-P-C4' energy: -128.169
flat angles P-C4'-P energy: -81.759
tors. eta vs tors. theta energy: -149.615
Dist. restrs. and SS energy: 2.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -1832.355876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.355876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.562604 (E_RNA)
where:
Base-Base interactions energy: -1224.713
where: short stacking energy: -534.255
Base-Backbone interact. energy: -0.656
local terms energy: -612.194388
where:
bonds (distance) C4'-P energy: -132.027
bonds (distance) P-C4' energy: -128.635
flat angles C4'-P-C4' energy: -149.617
flat angles P-C4'-P energy: -80.636
tors. eta vs tors. theta energy: -121.280
Dist. restrs. and SS energy: 5.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -2854.026552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2854.026552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2855.892090 (E_RNA)
where:
Base-Base interactions energy: -1955.519
where: short stacking energy: -851.576
Base-Backbone interact. energy: -3.960
local terms energy: -896.413587
where:
bonds (distance) C4'-P energy: -159.151
bonds (distance) P-C4' energy: -169.664
flat angles C4'-P-C4' energy: -190.464
flat angles P-C4'-P energy: -118.570
tors. eta vs tors. theta energy: -258.565
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: 2, replica: 10
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -2687.155154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.155154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.215132 (E_RNA)
where:
Base-Base interactions energy: -1814.747
where: short stacking energy: -747.017
Base-Backbone interact. energy: -2.354
local terms energy: -873.114717
where:
bonds (distance) C4'-P energy: -151.726
bonds (distance) P-C4' energy: -168.731
flat angles C4'-P-C4' energy: -197.079
flat angles P-C4'-P energy: -125.045
tors. eta vs tors. theta energy: -230.534
Dist. restrs. and SS energy: 3.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -2577.397663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.397663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.470372 (E_RNA)
where:
Base-Base interactions energy: -1749.079
where: short stacking energy: -741.955
Base-Backbone interact. energy: -2.556
local terms energy: -827.835270
where:
bonds (distance) C4'-P energy: -164.296
bonds (distance) P-C4' energy: -157.618
flat angles C4'-P-C4' energy: -181.772
flat angles P-C4'-P energy: -117.827
tors. eta vs tors. theta energy: -206.321
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: 4, replica: 7
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -2338.258629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.258629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.866485 (E_RNA)
where:
Base-Base interactions energy: -1583.113
where: short stacking energy: -682.721
Base-Backbone interact. energy: -5.820
local terms energy: -750.933817
where:
bonds (distance) C4'-P energy: -144.573
bonds (distance) P-C4' energy: -145.435
flat angles C4'-P-C4' energy: -152.690
flat angles P-C4'-P energy: -112.450
tors. eta vs tors. theta energy: -195.787
Dist. restrs. and SS energy: 1.608 (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: 4
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -2312.922149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.922149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.163065 (E_RNA)
where:
Base-Base interactions energy: -1551.635
where: short stacking energy: -675.858
Base-Backbone interact. energy: -2.226
local terms energy: -761.302241
where:
bonds (distance) C4'-P energy: -151.726
bonds (distance) P-C4' energy: -155.034
flat angles C4'-P-C4' energy: -161.052
flat angles P-C4'-P energy: -104.672
tors. eta vs tors. theta energy: -188.818
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: 8
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -2198.879497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.879497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.396922 (E_RNA)
where:
Base-Base interactions energy: -1497.354
where: short stacking energy: -654.144
Base-Backbone interact. energy: 0.618
local terms energy: -705.660285
where:
bonds (distance) C4'-P energy: -119.636
bonds (distance) P-C4' energy: -155.585
flat angles C4'-P-C4' energy: -157.986
flat angles P-C4'-P energy: -89.953
tors. eta vs tors. theta energy: -182.501
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: 7, replica: 1
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -2113.643448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.643448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.989507 (E_RNA)
where:
Base-Base interactions energy: -1409.801
where: short stacking energy: -619.806
Base-Backbone interact. energy: -3.080
local terms energy: -703.109072
where:
bonds (distance) C4'-P energy: -144.273
bonds (distance) P-C4' energy: -130.692
flat angles C4'-P-C4' energy: -162.068
flat angles P-C4'-P energy: -90.860
tors. eta vs tors. theta energy: -175.217
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: 8, replica: 5
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -1966.847697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.847697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.337506 (E_RNA)
where:
Base-Base interactions energy: -1346.624
where: short stacking energy: -573.242
Base-Backbone interact. energy: 0.216
local terms energy: -622.928791
where:
bonds (distance) C4'-P energy: -133.124
bonds (distance) P-C4' energy: -128.632
flat angles C4'-P-C4' energy: -140.504
flat angles P-C4'-P energy: -82.421
tors. eta vs tors. theta energy: -138.247
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: 9, replica: 6
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -1930.656466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.656466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.735410 (E_RNA)
where:
Base-Base interactions energy: -1338.219
where: short stacking energy: -568.980
Base-Backbone interact. energy: -1.951
local terms energy: -593.565638
where:
bonds (distance) C4'-P energy: -111.242
bonds (distance) P-C4' energy: -115.468
flat angles C4'-P-C4' energy: -142.221
flat angles P-C4'-P energy: -76.425
tors. eta vs tors. theta energy: -148.210
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: 10, replica: 3
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -1816.794899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.794899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.492001 (E_RNA)
where:
Base-Base interactions energy: -1229.737
where: short stacking energy: -505.044
Base-Backbone interact. energy: -2.317
local terms energy: -592.438047
where:
bonds (distance) C4'-P energy: -139.906
bonds (distance) P-C4' energy: -125.023
flat angles C4'-P-C4' energy: -118.887
flat angles P-C4'-P energy: -93.267
tors. eta vs tors. theta energy: -115.355
Dist. restrs. and SS energy: 7.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -2870.638120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2870.638120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2872.313660 (E_RNA)
where:
Base-Base interactions energy: -1991.863
where: short stacking energy: -822.387
Base-Backbone interact. energy: -2.288
local terms energy: -878.162236
where:
bonds (distance) C4'-P energy: -158.307
bonds (distance) P-C4' energy: -173.376
flat angles C4'-P-C4' energy: -179.640
flat angles P-C4'-P energy: -126.659
tors. eta vs tors. theta energy: -240.179
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: 2, replica: 10
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -2702.137439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.137439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.105151 (E_RNA)
where:
Base-Base interactions energy: -1817.086
where: short stacking energy: -782.693
Base-Backbone interact. energy: -1.783
local terms energy: -886.236570
where:
bonds (distance) C4'-P energy: -155.478
bonds (distance) P-C4' energy: -165.788
flat angles C4'-P-C4' energy: -195.477
flat angles P-C4'-P energy: -124.338
tors. eta vs tors. theta energy: -245.156
Dist. restrs. and SS energy: 2.968 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -2585.858015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.858015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.088158 (E_RNA)
where:
Base-Base interactions energy: -1782.740
where: short stacking energy: -777.706
Base-Backbone interact. energy: -3.592
local terms energy: -800.755863
where:
bonds (distance) C4'-P energy: -129.628
bonds (distance) P-C4' energy: -157.305
flat angles C4'-P-C4' energy: -171.329
flat angles P-C4'-P energy: -112.495
tors. eta vs tors. theta energy: -230.000
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: 4, replica: 7
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -2330.374141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.374141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.727650 (E_RNA)
where:
Base-Base interactions energy: -1546.884
where: short stacking energy: -681.905
Base-Backbone interact. energy: -1.360
local terms energy: -784.483557
where:
bonds (distance) C4'-P energy: -155.112
bonds (distance) P-C4' energy: -146.957
flat angles C4'-P-C4' energy: -164.157
flat angles P-C4'-P energy: -130.204
tors. eta vs tors. theta energy: -188.054
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: 5, replica: 4
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -2319.211503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.211503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.818960 (E_RNA)
where:
Base-Base interactions energy: -1558.793
where: short stacking energy: -669.753
Base-Backbone interact. energy: -2.623
local terms energy: -759.402805
where:
bonds (distance) C4'-P energy: -145.932
bonds (distance) P-C4' energy: -145.643
flat angles C4'-P-C4' energy: -172.047
flat angles P-C4'-P energy: -111.767
tors. eta vs tors. theta energy: -184.014
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: 156
Temperature: 1.150000
Total energy: -2152.898178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.898178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.424855 (E_RNA)
where:
Base-Base interactions energy: -1471.573
where: short stacking energy: -618.950
Base-Backbone interact. energy: -3.344
local terms energy: -680.507378
where:
bonds (distance) C4'-P energy: -130.877
bonds (distance) P-C4' energy: -132.075
flat angles C4'-P-C4' energy: -137.837
flat angles P-C4'-P energy: -111.882
tors. eta vs tors. theta energy: -167.837
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: 7, replica: 1
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -2121.774384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.774384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.118664 (E_RNA)
where:
Base-Base interactions energy: -1453.615
where: short stacking energy: -630.092
Base-Backbone interact. energy: -1.202
local terms energy: -669.302241
where:
bonds (distance) C4'-P energy: -124.905
bonds (distance) P-C4' energy: -134.212
flat angles C4'-P-C4' energy: -144.851
flat angles P-C4'-P energy: -102.810
tors. eta vs tors. theta energy: -162.525
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: 8, replica: 5
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -2017.368248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.368248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.815902 (E_RNA)
where:
Base-Base interactions energy: -1358.379
where: short stacking energy: -595.628
Base-Backbone interact. energy: -0.499
local terms energy: -660.937551
where:
bonds (distance) C4'-P energy: -155.964
bonds (distance) P-C4' energy: -107.083
flat angles C4'-P-C4' energy: -146.465
flat angles P-C4'-P energy: -83.367
tors. eta vs tors. theta energy: -168.059
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: 9, replica: 6
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -1954.898954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.898954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.780745 (E_RNA)
where:
Base-Base interactions energy: -1328.374
where: short stacking energy: -557.261
Base-Backbone interact. energy: 1.369
local terms energy: -632.775616
where:
bonds (distance) C4'-P energy: -129.961
bonds (distance) P-C4' energy: -134.962
flat angles C4'-P-C4' energy: -146.818
flat angles P-C4'-P energy: -77.639
tors. eta vs tors. theta energy: -143.395
Dist. restrs. and SS energy: 4.882 (S_DIST_RNA)
chem. 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: -1867.704003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.704003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.579652 (E_RNA)
where:
Base-Base interactions energy: -1298.881
where: short stacking energy: -538.580
Base-Backbone interact. energy: -5.117
local terms energy: -566.581851
where:
bonds (distance) C4'-P energy: -122.852
bonds (distance) P-C4' energy: -132.238
flat angles C4'-P-C4' energy: -114.290
flat angles P-C4'-P energy: -60.802
tors. eta vs tors. theta energy: -136.400
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: 1, replica: 9
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -2858.016258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2858.016258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2860.409224 (E_RNA)
where:
Base-Base interactions energy: -1972.318
where: short stacking energy: -834.854
Base-Backbone interact. energy: -5.305
local terms energy: -882.786326
where:
bonds (distance) C4'-P energy: -165.190
bonds (distance) P-C4' energy: -163.349
flat angles C4'-P-C4' energy: -173.769
flat angles P-C4'-P energy: -136.530
tors. eta vs tors. theta energy: -243.948
Dist. restrs. and SS energy: 2.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -2736.746727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.746727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.264029 (E_RNA)
where:
Base-Base interactions energy: -1889.913
where: short stacking energy: -810.872
Base-Backbone interact. energy: -1.222
local terms energy: -848.128757
where:
bonds (distance) C4'-P energy: -163.186
bonds (distance) P-C4' energy: -162.642
flat angles C4'-P-C4' energy: -176.913
flat angles P-C4'-P energy: -121.010
tors. eta vs tors. theta energy: -224.378
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: 3, replica: 2
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -2567.336538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.336538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.744395 (E_RNA)
where:
Base-Base interactions energy: -1730.259
where: short stacking energy: -771.729
Base-Backbone interact. energy: -2.029
local terms energy: -837.455890
where:
bonds (distance) C4'-P energy: -152.593
bonds (distance) P-C4' energy: -158.192
flat angles C4'-P-C4' energy: -180.964
flat angles P-C4'-P energy: -123.147
tors. eta vs tors. theta energy: -222.560
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: 4, replica: 7
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -2317.255335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.255335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.275559 (E_RNA)
where:
Base-Base interactions energy: -1553.988
where: short stacking energy: -689.329
Base-Backbone interact. energy: -2.528
local terms energy: -763.759381
where:
bonds (distance) C4'-P energy: -150.963
bonds (distance) P-C4' energy: -151.291
flat angles C4'-P-C4' energy: -167.887
flat angles P-C4'-P energy: -98.208
tors. eta vs tors. theta energy: -195.411
Dist. restrs. and SS energy: 3.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -2296.781577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.781577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.271823 (E_RNA)
where:
Base-Base interactions energy: -1558.128
where: short stacking energy: -687.077
Base-Backbone interact. energy: -0.959
local terms energy: -740.185024
where:
bonds (distance) C4'-P energy: -123.409
bonds (distance) P-C4' energy: -155.574
flat angles C4'-P-C4' energy: -167.122
flat angles P-C4'-P energy: -110.188
tors. eta vs tors. theta energy: -183.892
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: 6, replica: 8
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -2206.802063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.802063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.386370 (E_RNA)
where:
Base-Base interactions energy: -1477.554
where: short stacking energy: -637.816
Base-Backbone interact. energy: -1.203
local terms energy: -731.629454
where:
bonds (distance) C4'-P energy: -157.987
bonds (distance) P-C4' energy: -120.750
flat angles C4'-P-C4' energy: -162.728
flat angles P-C4'-P energy: -114.140
tors. eta vs tors. theta energy: -176.025
Dist. restrs. and SS energy: 3.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -2133.339254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.339254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.673988 (E_RNA)
where:
Base-Base interactions energy: -1452.276
where: short stacking energy: -628.045
Base-Backbone interact. energy: 0.889
local terms energy: -684.287545
where:
bonds (distance) C4'-P energy: -140.018
bonds (distance) P-C4' energy: -143.982
flat angles C4'-P-C4' energy: -151.095
flat angles P-C4'-P energy: -94.179
tors. eta vs tors. theta energy: -155.014
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: 8, replica: 6
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -2001.046713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.046713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.362239 (E_RNA)
where:
Base-Base interactions energy: -1346.870
where: short stacking energy: -583.108
Base-Backbone interact. energy: -0.321
local terms energy: -656.171508
where:
bonds (distance) C4'-P energy: -124.233
bonds (distance) P-C4' energy: -141.311
flat angles C4'-P-C4' energy: -147.791
flat angles P-C4'-P energy: -88.163
tors. eta vs tors. theta energy: -154.674
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: 5
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -1966.600479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.600479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.506210 (E_RNA)
where:
Base-Base interactions energy: -1384.234
where: short stacking energy: -571.653
Base-Backbone interact. energy: 0.445
local terms energy: -584.717441
where:
bonds (distance) C4'-P energy: -123.377
bonds (distance) P-C4' energy: -119.142
flat angles C4'-P-C4' energy: -156.201
flat angles P-C4'-P energy: -54.574
tors. eta vs tors. theta energy: -131.424
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: 157
Temperature: 1.350000
Total energy: -1874.555374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.555374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.370204 (E_RNA)
where:
Base-Base interactions energy: -1302.187
where: short stacking energy: -531.899
Base-Backbone interact. energy: 2.862
local terms energy: -579.045535
where:
bonds (distance) C4'-P energy: -109.112
bonds (distance) P-C4' energy: -130.427
flat angles C4'-P-C4' energy: -128.896
flat angles P-C4'-P energy: -82.716
tors. eta vs tors. theta energy: -127.894
Dist. restrs. and SS energy: 3.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -2827.006603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.006603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2828.922734 (E_RNA)
where:
Base-Base interactions energy: -1922.490
where: short stacking energy: -822.815
Base-Backbone interact. energy: 1.522
local terms energy: -907.954170
where:
bonds (distance) C4'-P energy: -171.416
bonds (distance) P-C4' energy: -167.466
flat angles C4'-P-C4' energy: -188.766
flat angles P-C4'-P energy: -135.077
tors. eta vs tors. theta energy: -245.229
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: 2, replica: 10
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -2718.527721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.527721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.288313 (E_RNA)
where:
Base-Base interactions energy: -1847.092
where: short stacking energy: -792.352
Base-Backbone interact. energy: -1.833
local terms energy: -872.363406
where:
bonds (distance) C4'-P energy: -151.722
bonds (distance) P-C4' energy: -158.415
flat angles C4'-P-C4' energy: -184.579
flat angles P-C4'-P energy: -135.118
tors. eta vs tors. theta energy: -242.529
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: 3, replica: 2
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -2572.041281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.041281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.487212 (E_RNA)
where:
Base-Base interactions energy: -1753.794
where: short stacking energy: -747.044
Base-Backbone interact. energy: -2.512
local terms energy: -817.180991
where:
bonds (distance) C4'-P energy: -163.748
bonds (distance) P-C4' energy: -136.863
flat angles C4'-P-C4' energy: -174.833
flat angles P-C4'-P energy: -125.762
tors. eta vs tors. theta energy: -215.976
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: 4, replica: 7
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -2345.589845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.589845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.099426 (E_RNA)
where:
Base-Base interactions energy: -1564.022
where: short stacking energy: -686.033
Base-Backbone interact. energy: -0.613
local terms energy: -782.464360
where:
bonds (distance) C4'-P energy: -134.499
bonds (distance) P-C4' energy: -157.597
flat angles C4'-P-C4' energy: -174.113
flat angles P-C4'-P energy: -118.852
tors. eta vs tors. theta energy: -197.404
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: 5, replica: 4
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -2324.553967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.553967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.919028 (E_RNA)
where:
Base-Base interactions energy: -1577.296
where: short stacking energy: -697.914
Base-Backbone interact. energy: 0.642
local terms energy: -749.264703
where:
bonds (distance) C4'-P energy: -139.485
bonds (distance) P-C4' energy: -147.361
flat angles C4'-P-C4' energy: -161.238
flat angles P-C4'-P energy: -108.739
tors. eta vs tors. theta energy: -192.441
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: 6, replica: 8
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -2201.817293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.817293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.490037 (E_RNA)
where:
Base-Base interactions energy: -1489.957
where: short stacking energy: -639.743
Base-Backbone interact. energy: 5.358
local terms energy: -718.891025
where:
bonds (distance) C4'-P energy: -140.544
bonds (distance) P-C4' energy: -152.304
flat angles C4'-P-C4' energy: -155.649
flat angles P-C4'-P energy: -100.598
tors. eta vs tors. theta energy: -169.796
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: 7, replica: 6
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -2072.275144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.275144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.618008 (E_RNA)
where:
Base-Base interactions energy: -1413.344
where: short stacking energy: -614.693
Base-Backbone interact. energy: 0.360
local terms energy: -661.633647
where:
bonds (distance) C4'-P energy: -129.963
bonds (distance) P-C4' energy: -133.616
flat angles C4'-P-C4' energy: -152.281
flat angles P-C4'-P energy: -76.805
tors. eta vs tors. theta energy: -168.969
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: 8, replica: 1
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -2059.513686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.513686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.262853 (E_RNA)
where:
Base-Base interactions energy: -1388.635
where: short stacking energy: -609.075
Base-Backbone interact. energy: -0.685
local terms energy: -672.943177
where:
bonds (distance) C4'-P energy: -122.891
bonds (distance) P-C4' energy: -138.559
flat angles C4'-P-C4' energy: -164.123
flat angles P-C4'-P energy: -89.515
tors. eta vs tors. theta energy: -157.856
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: 9, replica: 5
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -1927.154021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.154021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.986516 (E_RNA)
where:
Base-Base interactions energy: -1333.865
where: short stacking energy: -553.182
Base-Backbone interact. energy: 10.375
local terms energy: -606.496036
where:
bonds (distance) C4'-P energy: -109.306
bonds (distance) P-C4' energy: -127.253
flat angles C4'-P-C4' energy: -142.580
flat angles P-C4'-P energy: -75.954
tors. eta vs tors. theta energy: -151.402
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: 10, replica: 3
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -1861.285504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.285504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.119472 (E_RNA)
where:
Base-Base interactions energy: -1288.964
where: short stacking energy: -553.418
Base-Backbone interact. energy: -1.549
local terms energy: -573.605750
where:
bonds (distance) C4'-P energy: -114.241
bonds (distance) P-C4' energy: -117.709
flat angles C4'-P-C4' energy: -123.562
flat angles P-C4'-P energy: -77.251
tors. eta vs tors. theta energy: -140.844
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: 1, replica: 9
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -2862.941618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2862.941618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2865.923303 (E_RNA)
where:
Base-Base interactions energy: -1964.015
where: short stacking energy: -862.504
Base-Backbone interact. energy: -3.156
local terms energy: -898.752283
where:
bonds (distance) C4'-P energy: -164.889
bonds (distance) P-C4' energy: -160.972
flat angles C4'-P-C4' energy: -186.547
flat angles P-C4'-P energy: -132.013
tors. eta vs tors. theta energy: -254.332
Dist. restrs. and SS energy: 2.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -2697.037851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.037851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.151316 (E_RNA)
where:
Base-Base interactions energy: -1835.512
where: short stacking energy: -789.922
Base-Backbone interact. energy: -1.712
local terms energy: -862.927428
where:
bonds (distance) C4'-P energy: -163.358
bonds (distance) P-C4' energy: -164.601
flat angles C4'-P-C4' energy: -178.505
flat angles P-C4'-P energy: -125.005
tors. eta vs tors. theta energy: -231.459
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: 3, replica: 2
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -2546.643645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.643645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.558231 (E_RNA)
where:
Base-Base interactions energy: -1721.156
where: short stacking energy: -732.831
Base-Backbone interact. energy: -1.278
local terms energy: -827.124103
where:
bonds (distance) C4'-P energy: -157.472
bonds (distance) P-C4' energy: -163.488
flat angles C4'-P-C4' energy: -179.566
flat angles P-C4'-P energy: -113.681
tors. eta vs tors. theta energy: -212.917
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: 4, replica: 4
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -2419.946485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.946485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.820593 (E_RNA)
where:
Base-Base interactions energy: -1628.070
where: short stacking energy: -711.758
Base-Backbone interact. energy: -1.585
local terms energy: -792.164922
where:
bonds (distance) C4'-P energy: -152.436
bonds (distance) P-C4' energy: -155.277
flat angles C4'-P-C4' energy: -175.454
flat angles P-C4'-P energy: -116.002
tors. eta vs tors. theta energy: -192.996
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: 5, replica: 7
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -2285.100022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.100022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.832457 (E_RNA)
where:
Base-Base interactions energy: -1532.409
where: short stacking energy: -669.130
Base-Backbone interact. energy: 5.506
local terms energy: -760.928957
where:
bonds (distance) C4'-P energy: -149.309
bonds (distance) P-C4' energy: -150.434
flat angles C4'-P-C4' energy: -166.428
flat angles P-C4'-P energy: -111.963
tors. eta vs tors. theta energy: -182.795
Dist. restrs. and SS energy: 2.732 (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: 8
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -2190.828736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.828736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.276395 (E_RNA)
where:
Base-Base interactions energy: -1462.043
where: short stacking energy: -616.050
Base-Backbone interact. energy: -3.530
local terms energy: -726.702895
where:
bonds (distance) C4'-P energy: -129.953
bonds (distance) P-C4' energy: -148.770
flat angles C4'-P-C4' energy: -162.419
flat angles P-C4'-P energy: -108.263
tors. eta vs tors. theta energy: -177.298
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: 7, replica: 6
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -2077.781482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.781482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.740343 (E_RNA)
where:
Base-Base interactions energy: -1388.030
where: short stacking energy: -600.497
Base-Backbone interact. energy: -2.235
local terms energy: -690.474852
where:
bonds (distance) C4'-P energy: -139.372
bonds (distance) P-C4' energy: -146.429
flat angles C4'-P-C4' energy: -158.492
flat angles P-C4'-P energy: -92.122
tors. eta vs tors. theta energy: -154.061
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: 8, replica: 1
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -2036.884447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.884447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.808562 (E_RNA)
where:
Base-Base interactions energy: -1366.882
where: short stacking energy: -582.838
Base-Backbone interact. energy: -1.689
local terms energy: -670.238209
where:
bonds (distance) C4'-P energy: -130.433
bonds (distance) P-C4' energy: -131.563
flat angles C4'-P-C4' energy: -153.477
flat angles P-C4'-P energy: -99.251
tors. eta vs tors. theta energy: -155.514
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: 9, replica: 5
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -1943.019383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.019383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.105155 (E_RNA)
where:
Base-Base interactions energy: -1333.405
where: short stacking energy: -553.810
Base-Backbone interact. energy: -0.128
local terms energy: -614.572109
where:
bonds (distance) C4'-P energy: -119.651
bonds (distance) P-C4' energy: -119.158
flat angles C4'-P-C4' energy: -141.400
flat angles P-C4'-P energy: -86.911
tors. eta vs tors. theta energy: -147.452
Dist. restrs. and SS energy: 5.086 (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: 3
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -1849.416521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.416521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.053129 (E_RNA)
where:
Base-Base interactions energy: -1259.896
where: short stacking energy: -524.912
Base-Backbone interact. energy: -3.450
local terms energy: -595.706647
where:
bonds (distance) C4'-P energy: -120.050
bonds (distance) P-C4' energy: -126.867
flat angles C4'-P-C4' energy: -131.449
flat angles P-C4'-P energy: -83.414
tors. eta vs tors. theta energy: -133.926
Dist. restrs. and SS energy: 9.637 (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: 160
Temperature: 0.900000
Total energy: -2832.287400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.287400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.323576 (E_RNA)
where:
Base-Base interactions energy: -1945.869
where: short stacking energy: -850.866
Base-Backbone interact. energy: -4.938
local terms energy: -884.516859
where:
bonds (distance) C4'-P energy: -148.021
bonds (distance) P-C4' energy: -160.419
flat angles C4'-P-C4' energy: -193.254
flat angles P-C4'-P energy: -131.612
tors. eta vs tors. theta energy: -251.211
Dist. restrs. and SS energy: 3.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -2743.599442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.599442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.352638 (E_RNA)
where:
Base-Base interactions energy: -1871.738
where: short stacking energy: -823.654
Base-Backbone interact. energy: -2.443
local terms energy: -871.172241
where:
bonds (distance) C4'-P energy: -153.544
bonds (distance) P-C4' energy: -163.204
flat angles C4'-P-C4' energy: -198.426
flat angles P-C4'-P energy: -111.798
tors. eta vs tors. theta energy: -244.201
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: 3, replica: 2
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -2549.707343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.707343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.022236 (E_RNA)
where:
Base-Base interactions energy: -1741.038
where: short stacking energy: -732.957
Base-Backbone interact. energy: 1.914
local terms energy: -811.897854
where:
bonds (distance) C4'-P energy: -146.403
bonds (distance) P-C4' energy: -159.807
flat angles C4'-P-C4' energy: -179.002
flat angles P-C4'-P energy: -121.381
tors. eta vs tors. theta energy: -205.306
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: 4, replica: 4
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -2466.402966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.402966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.687186 (E_RNA)
where:
Base-Base interactions energy: -1647.426
where: short stacking energy: -736.084
Base-Backbone interact. energy: -2.966
local terms energy: -817.294648
where:
bonds (distance) C4'-P energy: -157.850
bonds (distance) P-C4' energy: -140.469
flat angles C4'-P-C4' energy: -178.988
flat angles P-C4'-P energy: -126.855
tors. eta vs tors. theta energy: -213.132
Dist. restrs. and SS energy: 1.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -2307.242897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.242897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.696807 (E_RNA)
where:
Base-Base interactions energy: -1576.302
where: short stacking energy: -696.409
Base-Backbone interact. energy: -2.469
local terms energy: -729.925281
where:
bonds (distance) C4'-P energy: -127.070
bonds (distance) P-C4' energy: -144.380
flat angles C4'-P-C4' energy: -165.703
flat angles P-C4'-P energy: -101.615
tors. eta vs tors. theta energy: -191.156
Dist. restrs. and SS energy: 1.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -2157.514931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.514931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.378605 (E_RNA)
where:
Base-Base interactions energy: -1435.426
where: short stacking energy: -603.362
Base-Backbone interact. energy: -1.475
local terms energy: -722.476962
where:
bonds (distance) C4'-P energy: -130.573
bonds (distance) P-C4' energy: -165.394
flat angles C4'-P-C4' energy: -146.087
flat angles P-C4'-P energy: -117.676
tors. eta vs tors. theta energy: -162.747
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: 7, replica: 6
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -2044.652284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.652284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.610102 (E_RNA)
where:
Base-Base interactions energy: -1354.291
where: short stacking energy: -590.650
Base-Backbone interact. energy: -2.446
local terms energy: -689.872946
where:
bonds (distance) C4'-P energy: -127.557
bonds (distance) P-C4' energy: -147.752
flat angles C4'-P-C4' energy: -141.930
flat angles P-C4'-P energy: -100.583
tors. eta vs tors. theta energy: -172.051
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: 8, replica: 1
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -2010.693896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.693896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.436204 (E_RNA)
where:
Base-Base interactions energy: -1378.667
where: short stacking energy: -593.590
Base-Backbone interact. energy: -3.446
local terms energy: -631.323417
where:
bonds (distance) C4'-P energy: -128.651
bonds (distance) P-C4' energy: -137.489
flat angles C4'-P-C4' energy: -128.978
flat angles P-C4'-P energy: -88.404
tors. eta vs tors. theta energy: -147.801
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: 9, replica: 5
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -1949.458499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.458499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.848102 (E_RNA)
where:
Base-Base interactions energy: -1325.855
where: short stacking energy: -562.138
Base-Backbone interact. energy: 0.423
local terms energy: -626.416571
where:
bonds (distance) C4'-P energy: -129.095
bonds (distance) P-C4' energy: -145.582
flat angles C4'-P-C4' energy: -132.927
flat angles P-C4'-P energy: -77.373
tors. eta vs tors. theta energy: -141.441
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: 10, replica: 3
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -1926.906983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.906983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.899592 (E_RNA)
where:
Base-Base interactions energy: -1317.688
where: short stacking energy: -571.178
Base-Backbone interact. energy: 5.505
local terms energy: -617.716945
where:
bonds (distance) C4'-P energy: -113.102
bonds (distance) P-C4' energy: -129.729
flat angles C4'-P-C4' energy: -143.283
flat angles P-C4'-P energy: -75.964
tors. eta vs tors. theta energy: -155.640
Dist. restrs. and SS energy: 2.993 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -2875.733060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2875.733060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2878.969437 (E_RNA)
where:
Base-Base interactions energy: -2014.644
where: short stacking energy: -867.531
Base-Backbone interact. energy: -2.882
local terms energy: -861.443339
where:
bonds (distance) C4'-P energy: -140.626
bonds (distance) P-C4' energy: -146.193
flat angles C4'-P-C4' energy: -184.190
flat angles P-C4'-P energy: -125.813
tors. eta vs tors. theta energy: -264.621
Dist. restrs. and SS energy: 3.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -2742.326021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.326021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.261432 (E_RNA)
where:
Base-Base interactions energy: -1879.530
where: short stacking energy: -812.708
Base-Backbone interact. energy: -2.270
local terms energy: -862.461585
where:
bonds (distance) C4'-P energy: -151.417
bonds (distance) P-C4' energy: -160.048
flat angles C4'-P-C4' energy: -185.591
flat angles P-C4'-P energy: -115.720
tors. eta vs tors. theta energy: -249.685
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: 3, replica: 2
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -2577.357085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.357085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.433809 (E_RNA)
where:
Base-Base interactions energy: -1764.618
where: short stacking energy: -774.896
Base-Backbone interact. energy: -2.625
local terms energy: -811.191164
where:
bonds (distance) C4'-P energy: -139.502
bonds (distance) P-C4' energy: -150.496
flat angles C4'-P-C4' energy: -179.737
flat angles P-C4'-P energy: -125.185
tors. eta vs tors. theta energy: -216.270
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: 4, replica: 4
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -2417.669746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.669746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.135346 (E_RNA)
where:
Base-Base interactions energy: -1638.653
where: short stacking energy: -735.193
Base-Backbone interact. energy: 4.692
local terms energy: -785.174406
where:
bonds (distance) C4'-P energy: -150.553
bonds (distance) P-C4' energy: -164.329
flat angles C4'-P-C4' energy: -169.606
flat angles P-C4'-P energy: -97.775
tors. eta vs tors. theta energy: -202.911
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: 5, replica: 7
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -2336.168566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.168566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.674755 (E_RNA)
where:
Base-Base interactions energy: -1592.763
where: short stacking energy: -702.271
Base-Backbone interact. energy: -4.844
local terms energy: -740.067970
where:
bonds (distance) C4'-P energy: -110.416
bonds (distance) P-C4' energy: -159.159
flat angles C4'-P-C4' energy: -166.646
flat angles P-C4'-P energy: -104.285
tors. eta vs tors. theta energy: -199.561
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: 6, replica: 8
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -2141.329128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.329128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.240618 (E_RNA)
where:
Base-Base interactions energy: -1449.671
where: short stacking energy: -597.948
Base-Backbone interact. energy: -0.929
local terms energy: -693.641421
where:
bonds (distance) C4'-P energy: -123.544
bonds (distance) P-C4' energy: -153.985
flat angles C4'-P-C4' energy: -162.307
flat angles P-C4'-P energy: -90.939
tors. eta vs tors. theta energy: -162.867
Dist. restrs. and SS energy: 2.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -2053.189651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.189651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.808272 (E_RNA)
where:
Base-Base interactions energy: -1374.693
where: short stacking energy: -608.043
Base-Backbone interact. energy: -0.773
local terms energy: -681.342451
where:
bonds (distance) C4'-P energy: -135.580
bonds (distance) P-C4' energy: -149.772
flat angles C4'-P-C4' energy: -147.513
flat angles P-C4'-P energy: -81.773
tors. eta vs tors. theta energy: -166.704
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: 8, replica: 5
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -2007.811179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.811179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.378636 (E_RNA)
where:
Base-Base interactions energy: -1352.598
where: short stacking energy: -576.826
Base-Backbone interact. energy: 10.353
local terms energy: -670.133292
where:
bonds (distance) C4'-P energy: -116.759
bonds (distance) P-C4' energy: -137.360
flat angles C4'-P-C4' energy: -143.729
flat angles P-C4'-P energy: -108.674
tors. eta vs tors. theta energy: -163.612
Dist. restrs. and SS energy: 4.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -1940.787635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.787635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.438557 (E_RNA)
where:
Base-Base interactions energy: -1325.409
where: short stacking energy: -552.549
Base-Backbone interact. energy: -3.860
local terms energy: -615.169401
where:
bonds (distance) C4'-P energy: -114.618
bonds (distance) P-C4' energy: -124.341
flat angles C4'-P-C4' energy: -149.726
flat angles P-C4'-P energy: -88.246
tors. eta vs tors. theta energy: -138.238
Dist. restrs. and SS energy: 3.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -1844.919489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.919489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.038385 (E_RNA)
where:
Base-Base interactions energy: -1246.815
where: short stacking energy: -532.408
Base-Backbone interact. energy: 7.784
local terms energy: -613.008074
where:
bonds (distance) C4'-P energy: -124.697
bonds (distance) P-C4' energy: -127.355
flat angles C4'-P-C4' energy: -146.970
flat angles P-C4'-P energy: -89.848
tors. eta vs tors. theta energy: -124.138
Dist. restrs. and SS energy: 7.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -2896.980359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2896.980359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2899.773105 (E_RNA)
where:
Base-Base interactions energy: -2018.771
where: short stacking energy: -868.842
Base-Backbone interact. energy: -1.058
local terms energy: -879.944047
where:
bonds (distance) C4'-P energy: -135.942
bonds (distance) P-C4' energy: -168.260
flat angles C4'-P-C4' energy: -190.918
flat angles P-C4'-P energy: -123.289
tors. eta vs tors. theta energy: -261.535
Dist. restrs. and SS energy: 2.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -2735.318552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.318552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.278365 (E_RNA)
where:
Base-Base interactions energy: -1858.900
where: short stacking energy: -809.761
Base-Backbone interact. energy: -1.478
local terms energy: -876.900432
where:
bonds (distance) C4'-P energy: -161.951
bonds (distance) P-C4' energy: -155.714
flat angles C4'-P-C4' energy: -188.306
flat angles P-C4'-P energy: -125.599
tors. eta vs tors. theta energy: -245.330
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: 2
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -2581.893929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.893929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.005476 (E_RNA)
where:
Base-Base interactions energy: -1777.844
where: short stacking energy: -742.242
Base-Backbone interact. energy: -1.396
local terms energy: -805.765251
where:
bonds (distance) C4'-P energy: -136.497
bonds (distance) P-C4' energy: -158.645
flat angles C4'-P-C4' energy: -191.350
flat angles P-C4'-P energy: -108.427
tors. eta vs tors. theta energy: -210.846
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: 4, replica: 4
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -2403.295036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.295036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.122836 (E_RNA)
where:
Base-Base interactions energy: -1593.660
where: short stacking energy: -715.665
Base-Backbone interact. energy: -2.540
local terms energy: -808.921998
where:
bonds (distance) C4'-P energy: -155.561
bonds (distance) P-C4' energy: -154.226
flat angles C4'-P-C4' energy: -179.330
flat angles P-C4'-P energy: -122.554
tors. eta vs tors. theta energy: -197.251
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: 162
Temperature: 1.100000
Total energy: -2330.936812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.936812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.594100 (E_RNA)
where:
Base-Base interactions energy: -1560.621
where: short stacking energy: -664.047
Base-Backbone interact. energy: -1.337
local terms energy: -770.635767
where:
bonds (distance) C4'-P energy: -145.856
bonds (distance) P-C4' energy: -164.802
flat angles C4'-P-C4' energy: -175.518
flat angles P-C4'-P energy: -100.503
tors. eta vs tors. theta energy: -183.957
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: 6, replica: 8
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -2116.009220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.009220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.143341 (E_RNA)
where:
Base-Base interactions energy: -1415.138
where: short stacking energy: -623.954
Base-Backbone interact. energy: -0.657
local terms energy: -702.348451
where:
bonds (distance) C4'-P energy: -134.469
bonds (distance) P-C4' energy: -147.254
flat angles C4'-P-C4' energy: -157.640
flat angles P-C4'-P energy: -106.736
tors. eta vs tors. theta energy: -156.250
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: 7, replica: 6
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -2062.769818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.769818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.723362 (E_RNA)
where:
Base-Base interactions energy: -1379.009
where: short stacking energy: -600.448
Base-Backbone interact. energy: 0.349
local terms energy: -686.063247
where:
bonds (distance) C4'-P energy: -136.101
bonds (distance) P-C4' energy: -138.664
flat angles C4'-P-C4' energy: -157.115
flat angles P-C4'-P energy: -87.111
tors. eta vs tors. theta energy: -167.071
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: 8, replica: 5
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -2036.399160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.399160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.734210 (E_RNA)
where:
Base-Base interactions energy: -1352.259
where: short stacking energy: -608.203
Base-Backbone interact. energy: -2.141
local terms energy: -687.334626
where:
bonds (distance) C4'-P energy: -122.692
bonds (distance) P-C4' energy: -157.277
flat angles C4'-P-C4' energy: -156.673
flat angles P-C4'-P energy: -88.699
tors. eta vs tors. theta energy: -161.994
Dist. restrs. and SS energy: 5.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -1929.909360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.909360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.115692 (E_RNA)
where:
Base-Base interactions energy: -1341.293
where: short stacking energy: -587.791
Base-Backbone interact. energy: -0.866
local terms energy: -590.957362
where:
bonds (distance) C4'-P energy: -111.504
bonds (distance) P-C4' energy: -121.804
flat angles C4'-P-C4' energy: -139.700
flat angles P-C4'-P energy: -64.123
tors. eta vs tors. theta energy: -153.825
Dist. restrs. and SS energy: 3.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -1975.364153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.364153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.956141 (E_RNA)
where:
Base-Base interactions energy: -1341.464
where: short stacking energy: -573.364
Base-Backbone interact. energy: -2.329
local terms energy: -634.163705
where:
bonds (distance) C4'-P energy: -137.486
bonds (distance) P-C4' energy: -118.693
flat angles C4'-P-C4' energy: -139.963
flat angles P-C4'-P energy: -89.659
tors. eta vs tors. theta energy: -148.364
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: 1, replica: 9
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -2874.780386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2874.780386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2875.803243 (E_RNA)
where:
Base-Base interactions energy: -1969.909
where: short stacking energy: -858.885
Base-Backbone interact. energy: -3.888
local terms energy: -902.006816
where:
bonds (distance) C4'-P energy: -164.395
bonds (distance) P-C4' energy: -173.869
flat angles C4'-P-C4' energy: -185.160
flat angles P-C4'-P energy: -118.802
tors. eta vs tors. theta energy: -259.781
Dist. restrs. and SS energy: 1.023 (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: 10
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -2724.368314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.368314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.578819 (E_RNA)
where:
Base-Base interactions energy: -1871.264
where: short stacking energy: -836.777
Base-Backbone interact. energy: -2.999
local terms energy: -852.315284
where:
bonds (distance) C4'-P energy: -142.202
bonds (distance) P-C4' energy: -168.800
flat angles C4'-P-C4' energy: -193.530
flat angles P-C4'-P energy: -110.514
tors. eta vs tors. theta energy: -237.269
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: 3, replica: 2
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -2603.195960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.195960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.534026 (E_RNA)
where:
Base-Base interactions energy: -1769.519
where: short stacking energy: -771.855
Base-Backbone interact. energy: -0.858
local terms energy: -836.157284
where:
bonds (distance) C4'-P energy: -154.433
bonds (distance) P-C4' energy: -172.334
flat angles C4'-P-C4' energy: -178.313
flat angles P-C4'-P energy: -113.293
tors. eta vs tors. theta energy: -217.785
Dist. restrs. and SS energy: 3.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -2409.376945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.376945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.344206 (E_RNA)
where:
Base-Base interactions energy: -1626.432
where: short stacking energy: -708.149
Base-Backbone interact. energy: -0.119
local terms energy: -783.793136
where:
bonds (distance) C4'-P energy: -138.527
bonds (distance) P-C4' energy: -161.692
flat angles C4'-P-C4' energy: -168.835
flat angles P-C4'-P energy: -110.565
tors. eta vs tors. theta energy: -204.174
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: 5, replica: 4
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -2336.489704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.489704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.851654 (E_RNA)
where:
Base-Base interactions energy: -1575.951
where: short stacking energy: -675.023
Base-Backbone interact. energy: 2.310
local terms energy: -765.210456
where:
bonds (distance) C4'-P energy: -167.279
bonds (distance) P-C4' energy: -140.062
flat angles C4'-P-C4' energy: -162.900
flat angles P-C4'-P energy: -116.884
tors. eta vs tors. theta energy: -178.086
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: 6, replica: 8
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -2170.095999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.095999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.555166 (E_RNA)
where:
Base-Base interactions energy: -1449.651
where: short stacking energy: -610.092
Base-Backbone interact. energy: -3.194
local terms energy: -719.711027
where:
bonds (distance) C4'-P energy: -143.844
bonds (distance) P-C4' energy: -148.127
flat angles C4'-P-C4' energy: -142.200
flat angles P-C4'-P energy: -115.296
tors. eta vs tors. theta energy: -170.244
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: 6
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -2022.535574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.535574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.164955 (E_RNA)
where:
Base-Base interactions energy: -1335.898
where: short stacking energy: -559.765
Base-Backbone interact. energy: -4.230
local terms energy: -685.036236
where:
bonds (distance) C4'-P energy: -143.521
bonds (distance) P-C4' energy: -147.889
flat angles C4'-P-C4' energy: -155.060
flat angles P-C4'-P energy: -89.177
tors. eta vs tors. theta energy: -149.389
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: 8, replica: 5
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -2010.221253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.221253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.611630 (E_RNA)
where:
Base-Base interactions energy: -1361.693
where: short stacking energy: -582.154
Base-Backbone interact. energy: 3.708
local terms energy: -655.627150
where:
bonds (distance) C4'-P energy: -129.032
bonds (distance) P-C4' energy: -131.461
flat angles C4'-P-C4' energy: -153.487
flat angles P-C4'-P energy: -80.501
tors. eta vs tors. theta energy: -161.145
Dist. restrs. and SS energy: 3.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -1917.335703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.335703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.755833 (E_RNA)
where:
Base-Base interactions energy: -1289.456
where: short stacking energy: -551.216
Base-Backbone interact. energy: -0.919
local terms energy: -630.380774
where:
bonds (distance) C4'-P energy: -114.961
bonds (distance) P-C4' energy: -137.841
flat angles C4'-P-C4' energy: -138.676
flat angles P-C4'-P energy: -85.993
tors. eta vs tors. theta energy: -152.910
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: 3
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -1844.127045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.127045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.080675 (E_RNA)
where:
Base-Base interactions energy: -1284.976
where: short stacking energy: -524.081
Base-Backbone interact. energy: 2.141
local terms energy: -563.246176
where:
bonds (distance) C4'-P energy: -106.412
bonds (distance) P-C4' energy: -117.978
flat angles C4'-P-C4' energy: -131.666
flat angles P-C4'-P energy: -77.566
tors. eta vs tors. theta energy: -129.624
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: 1, replica: 9
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -2872.399452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2872.399452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2873.727613 (E_RNA)
where:
Base-Base interactions energy: -1971.157
where: short stacking energy: -867.448
Base-Backbone interact. energy: -3.113
local terms energy: -899.456976
where:
bonds (distance) C4'-P energy: -170.989
bonds (distance) P-C4' energy: -163.683
flat angles C4'-P-C4' energy: -178.637
flat angles P-C4'-P energy: -129.474
tors. eta vs tors. theta energy: -256.674
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: 10
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -2705.648507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.648507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.723079 (E_RNA)
where:
Base-Base interactions energy: -1876.731
where: short stacking energy: -768.431
Base-Backbone interact. energy: -2.505
local terms energy: -828.486829
where:
bonds (distance) C4'-P energy: -147.674
bonds (distance) P-C4' energy: -152.627
flat angles C4'-P-C4' energy: -183.409
flat angles P-C4'-P energy: -123.582
tors. eta vs tors. theta energy: -221.194
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: 3, replica: 2
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -2572.560816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.560816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.462108 (E_RNA)
where:
Base-Base interactions energy: -1761.790
where: short stacking energy: -773.114
Base-Backbone interact. energy: 0.697
local terms energy: -813.368961
where:
bonds (distance) C4'-P energy: -139.647
bonds (distance) P-C4' energy: -149.644
flat angles C4'-P-C4' energy: -174.101
flat angles P-C4'-P energy: -121.231
tors. eta vs tors. theta energy: -228.746
Dist. restrs. and SS energy: 1.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -2390.680661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.680661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.870915 (E_RNA)
where:
Base-Base interactions energy: -1615.058
where: short stacking energy: -686.344
Base-Backbone interact. energy: -4.899
local terms energy: -772.914440
where:
bonds (distance) C4'-P energy: -143.386
bonds (distance) P-C4' energy: -156.682
flat angles C4'-P-C4' energy: -169.716
flat angles P-C4'-P energy: -106.948
tors. eta vs tors. theta energy: -196.182
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: 5, replica: 4
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -2297.989085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.989085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.338693 (E_RNA)
where:
Base-Base interactions energy: -1541.804
where: short stacking energy: -654.080
Base-Backbone interact. energy: -2.653
local terms energy: -755.881743
where:
bonds (distance) C4'-P energy: -134.110
bonds (distance) P-C4' energy: -161.192
flat angles C4'-P-C4' energy: -179.582
flat angles P-C4'-P energy: -95.150
tors. eta vs tors. theta energy: -185.847
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: 8
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -2166.479951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.479951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.767151 (E_RNA)
where:
Base-Base interactions energy: -1468.949
where: short stacking energy: -632.858
Base-Backbone interact. energy: -1.591
local terms energy: -698.227124
where:
bonds (distance) C4'-P energy: -146.088
bonds (distance) P-C4' energy: -153.669
flat angles C4'-P-C4' energy: -156.095
flat angles P-C4'-P energy: -81.391
tors. eta vs tors. theta energy: -160.984
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: 7, replica: 6
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -2068.401395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.401395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.085122 (E_RNA)
where:
Base-Base interactions energy: -1379.570
where: short stacking energy: -591.239
Base-Backbone interact. energy: -1.711
local terms energy: -689.803874
where:
bonds (distance) C4'-P energy: -116.364
bonds (distance) P-C4' energy: -158.821
flat angles C4'-P-C4' energy: -155.745
flat angles P-C4'-P energy: -87.587
tors. eta vs tors. theta energy: -171.287
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: 8, replica: 5
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -1997.680939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.680939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.496215 (E_RNA)
where:
Base-Base interactions energy: -1343.328
where: short stacking energy: -560.555
Base-Backbone interact. energy: 11.846
local terms energy: -669.014359
where:
bonds (distance) C4'-P energy: -134.911
bonds (distance) P-C4' energy: -133.726
flat angles C4'-P-C4' energy: -147.232
flat angles P-C4'-P energy: -88.863
tors. eta vs tors. theta energy: -164.282
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: 9, replica: 3
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -1876.703650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.703650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.488336 (E_RNA)
where:
Base-Base interactions energy: -1271.532
where: short stacking energy: -539.595
Base-Backbone interact. energy: 6.435
local terms energy: -618.390875
where:
bonds (distance) C4'-P energy: -133.859
bonds (distance) P-C4' energy: -120.251
flat angles C4'-P-C4' energy: -149.359
flat angles P-C4'-P energy: -99.268
tors. eta vs tors. theta energy: -115.654
Dist. restrs. and SS energy: 6.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -1873.016940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.016940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.166145 (E_RNA)
where:
Base-Base interactions energy: -1299.215
where: short stacking energy: -542.672
Base-Backbone interact. energy: 2.539
local terms energy: -579.489795
where:
bonds (distance) C4'-P energy: -118.674
bonds (distance) P-C4' energy: -132.236
flat angles C4'-P-C4' energy: -129.497
flat angles P-C4'-P energy: -66.136
tors. eta vs tors. theta energy: -132.947
Dist. restrs. and SS energy: 3.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -2838.016675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2838.016675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2839.101887 (E_RNA)
where:
Base-Base interactions energy: -1964.307
where: short stacking energy: -823.323
Base-Backbone interact. energy: -1.153
local terms energy: -873.641256
where:
bonds (distance) C4'-P energy: -153.760
bonds (distance) P-C4' energy: -172.685
flat angles C4'-P-C4' energy: -187.055
flat angles P-C4'-P energy: -120.332
tors. eta vs tors. theta energy: -239.809
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: 2, replica: 10
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -2724.172569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.172569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.020760 (E_RNA)
where:
Base-Base interactions energy: -1852.172
where: short stacking energy: -807.153
Base-Backbone interact. energy: 6.097
local terms energy: -879.946189
where:
bonds (distance) C4'-P energy: -174.429
bonds (distance) P-C4' energy: -166.345
flat angles C4'-P-C4' energy: -183.578
flat angles P-C4'-P energy: -112.690
tors. eta vs tors. theta energy: -242.904
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: 3, replica: 2
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -2603.217199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.217199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.858730 (E_RNA)
where:
Base-Base interactions energy: -1778.610
where: short stacking energy: -795.322
Base-Backbone interact. energy: -3.346
local terms energy: -822.902968
where:
bonds (distance) C4'-P energy: -151.056
bonds (distance) P-C4' energy: -162.544
flat angles C4'-P-C4' energy: -176.639
flat angles P-C4'-P energy: -112.457
tors. eta vs tors. theta energy: -220.207
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: 4, replica: 7
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -2438.629516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.629516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.453663 (E_RNA)
where:
Base-Base interactions energy: -1658.570
where: short stacking energy: -741.638
Base-Backbone interact. energy: -3.224
local terms energy: -778.658991
where:
bonds (distance) C4'-P energy: -136.267
bonds (distance) P-C4' energy: -148.511
flat angles C4'-P-C4' energy: -160.696
flat angles P-C4'-P energy: -108.766
tors. eta vs tors. theta energy: -224.419
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: 4
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -2289.995743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.995743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.632860 (E_RNA)
where:
Base-Base interactions energy: -1512.239
where: short stacking energy: -657.845
Base-Backbone interact. energy: 2.087
local terms energy: -781.481335
where:
bonds (distance) C4'-P energy: -154.093
bonds (distance) P-C4' energy: -146.564
flat angles C4'-P-C4' energy: -165.020
flat angles P-C4'-P energy: -121.396
tors. eta vs tors. theta energy: -194.408
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: 8
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -2147.505922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.505922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.966839 (E_RNA)
where:
Base-Base interactions energy: -1464.117
where: short stacking energy: -640.844
Base-Backbone interact. energy: -1.916
local terms energy: -684.934030
where:
bonds (distance) C4'-P energy: -133.611
bonds (distance) P-C4' energy: -140.621
flat angles C4'-P-C4' energy: -159.543
flat angles P-C4'-P energy: -98.673
tors. eta vs tors. theta energy: -152.486
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: 7, replica: 6
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -2059.673108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.673108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.142171 (E_RNA)
where:
Base-Base interactions energy: -1398.263
where: short stacking energy: -594.379
Base-Backbone interact. energy: 0.583
local terms energy: -664.462037
where:
bonds (distance) C4'-P energy: -124.221
bonds (distance) P-C4' energy: -129.148
flat angles C4'-P-C4' energy: -156.617
flat angles P-C4'-P energy: -94.006
tors. eta vs tors. theta energy: -160.470
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: 5
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -2003.933179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.933179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.551640 (E_RNA)
where:
Base-Base interactions energy: -1339.768
where: short stacking energy: -563.658
Base-Backbone interact. energy: -2.304
local terms energy: -664.478840
where:
bonds (distance) C4'-P energy: -138.742
bonds (distance) P-C4' energy: -134.735
flat angles C4'-P-C4' energy: -159.325
flat angles P-C4'-P energy: -92.677
tors. eta vs tors. theta energy: -139.000
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: 9, replica: 3
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -1908.009590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.009590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.877422 (E_RNA)
where:
Base-Base interactions energy: -1286.569
where: short stacking energy: -529.901
Base-Backbone interact. energy: 1.602
local terms energy: -629.910110
where:
bonds (distance) C4'-P energy: -129.225
bonds (distance) P-C4' energy: -130.885
flat angles C4'-P-C4' energy: -147.817
flat angles P-C4'-P energy: -86.381
tors. eta vs tors. theta energy: -135.602
Dist. restrs. and SS energy: 6.868 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -1837.866095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.866095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.728291 (E_RNA)
where:
Base-Base interactions energy: -1236.031
where: short stacking energy: -483.016
Base-Backbone interact. energy: -3.658
local terms energy: -602.039422
where:
bonds (distance) C4'-P energy: -118.089
bonds (distance) P-C4' energy: -129.129
flat angles C4'-P-C4' energy: -134.165
flat angles P-C4'-P energy: -94.103
tors. eta vs tors. theta energy: -126.553
Dist. restrs. and SS energy: 3.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -2837.542683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2837.542683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.725475 (E_RNA)
where:
Base-Base interactions energy: -1950.125
where: short stacking energy: -827.675
Base-Backbone interact. energy: 0.380
local terms energy: -888.980086
where:
bonds (distance) C4'-P energy: -157.197
bonds (distance) P-C4' energy: -165.552
flat angles C4'-P-C4' energy: -180.347
flat angles P-C4'-P energy: -138.372
tors. eta vs tors. theta energy: -247.512
Dist. restrs. and SS energy: 1.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -2730.329105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.329105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.550320 (E_RNA)
where:
Base-Base interactions energy: -1860.022
where: short stacking energy: -805.656
Base-Backbone interact. energy: -0.996
local terms energy: -870.532434
where:
bonds (distance) C4'-P energy: -155.647
bonds (distance) P-C4' energy: -156.554
flat angles C4'-P-C4' energy: -197.083
flat angles P-C4'-P energy: -122.255
tors. eta vs tors. theta energy: -238.993
Dist. restrs. and SS energy: 1.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -2591.123236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.123236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.656085 (E_RNA)
where:
Base-Base interactions energy: -1785.826
where: short stacking energy: -770.288
Base-Backbone interact. energy: -3.392
local terms energy: -803.438470
where:
bonds (distance) C4'-P energy: -131.927
bonds (distance) P-C4' energy: -158.627
flat angles C4'-P-C4' energy: -163.128
flat angles P-C4'-P energy: -121.627
tors. eta vs tors. theta energy: -228.131
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: 4, replica: 7
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -2448.241715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.241715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.960503 (E_RNA)
where:
Base-Base interactions energy: -1644.261
where: short stacking energy: -719.127
Base-Backbone interact. energy: -2.197
local terms energy: -803.502618
where:
bonds (distance) C4'-P energy: -130.672
bonds (distance) P-C4' energy: -163.660
flat angles C4'-P-C4' energy: -185.117
flat angles P-C4'-P energy: -107.764
tors. eta vs tors. theta energy: -216.291
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: 5, replica: 4
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -2282.850048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.850048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.196760 (E_RNA)
where:
Base-Base interactions energy: -1533.999
where: short stacking energy: -684.986
Base-Backbone interact. energy: -2.405
local terms energy: -747.792623
where:
bonds (distance) C4'-P energy: -148.699
bonds (distance) P-C4' energy: -154.356
flat angles C4'-P-C4' energy: -157.197
flat angles P-C4'-P energy: -103.881
tors. eta vs tors. theta energy: -183.660
Dist. restrs. and SS energy: 1.347 (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: 8
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -2133.823821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.823821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.925239 (E_RNA)
where:
Base-Base interactions energy: -1434.350
where: short stacking energy: -615.445
Base-Backbone interact. energy: 2.503
local terms energy: -707.078726
where:
bonds (distance) C4'-P energy: -133.719
bonds (distance) P-C4' energy: -135.605
flat angles C4'-P-C4' energy: -161.345
flat angles P-C4'-P energy: -105.958
tors. eta vs tors. theta energy: -170.452
Dist. restrs. and SS energy: 5.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -2091.485799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.485799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.834458 (E_RNA)
where:
Base-Base interactions energy: -1413.758
where: short stacking energy: -609.378
Base-Backbone interact. energy: -0.565
local terms energy: -680.511110
where:
bonds (distance) C4'-P energy: -145.537
bonds (distance) P-C4' energy: -127.059
flat angles C4'-P-C4' energy: -151.745
flat angles P-C4'-P energy: -96.116
tors. eta vs tors. theta energy: -160.054
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: 8, replica: 5
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -2024.584955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.584955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.116725 (E_RNA)
where:
Base-Base interactions energy: -1345.266
where: short stacking energy: -592.775
Base-Backbone interact. energy: 6.448
local terms energy: -688.299083
where:
bonds (distance) C4'-P energy: -127.086
bonds (distance) P-C4' energy: -123.685
flat angles C4'-P-C4' energy: -159.713
flat angles P-C4'-P energy: -100.910
tors. eta vs tors. theta energy: -176.905
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: 1
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -1911.227615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.227615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.846246 (E_RNA)
where:
Base-Base interactions energy: -1285.500
where: short stacking energy: -547.418
Base-Backbone interact. energy: -0.534
local terms energy: -627.812891
where:
bonds (distance) C4'-P energy: -120.276
bonds (distance) P-C4' energy: -132.182
flat angles C4'-P-C4' energy: -146.715
flat angles P-C4'-P energy: -82.806
tors. eta vs tors. theta energy: -145.835
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: 3
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -1815.818471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.818471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.091283 (E_RNA)
where:
Base-Base interactions energy: -1221.956
where: short stacking energy: -531.147
Base-Backbone interact. energy: -2.134
local terms energy: -600.001438
where:
bonds (distance) C4'-P energy: -133.825
bonds (distance) P-C4' energy: -101.778
flat angles C4'-P-C4' energy: -147.175
flat angles P-C4'-P energy: -85.224
tors. eta vs tors. theta energy: -131.999
Dist. restrs. and SS energy: 8.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -2863.877665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2863.877665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2866.139879 (E_RNA)
where:
Base-Base interactions energy: -1986.234
where: short stacking energy: -871.479
Base-Backbone interact. energy: -6.011
local terms energy: -873.894625
where:
bonds (distance) C4'-P energy: -145.548
bonds (distance) P-C4' energy: -158.118
flat angles C4'-P-C4' energy: -184.171
flat angles P-C4'-P energy: -131.547
tors. eta vs tors. theta energy: -254.510
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: 2, replica: 10
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -2784.014264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.014264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.900866 (E_RNA)
where:
Base-Base interactions energy: -1898.759
where: short stacking energy: -821.604
Base-Backbone interact. energy: -2.968
local terms energy: -883.173617
where:
bonds (distance) C4'-P energy: -174.991
bonds (distance) P-C4' energy: -162.247
flat angles C4'-P-C4' energy: -182.128
flat angles P-C4'-P energy: -123.881
tors. eta vs tors. theta energy: -239.927
Dist. restrs. and SS energy: 0.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -2562.279541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.279541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.502393 (E_RNA)
where:
Base-Base interactions energy: -1752.238
where: short stacking energy: -784.551
Base-Backbone interact. energy: -3.887
local terms energy: -807.377679
where:
bonds (distance) C4'-P energy: -150.213
bonds (distance) P-C4' energy: -160.955
flat angles C4'-P-C4' energy: -172.507
flat angles P-C4'-P energy: -112.266
tors. eta vs tors. theta energy: -211.437
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: 4, replica: 7
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -2466.174039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.174039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.866361 (E_RNA)
where:
Base-Base interactions energy: -1686.756
where: short stacking energy: -721.085
Base-Backbone interact. energy: -3.018
local terms energy: -778.092640
where:
bonds (distance) C4'-P energy: -136.192
bonds (distance) P-C4' energy: -137.873
flat angles C4'-P-C4' energy: -171.766
flat angles P-C4'-P energy: -118.232
tors. eta vs tors. theta energy: -214.030
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: 5, replica: 4
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -2301.903114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.903114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.829417 (E_RNA)
where:
Base-Base interactions energy: -1541.373
where: short stacking energy: -639.305
Base-Backbone interact. energy: 1.158
local terms energy: -763.614254
where:
bonds (distance) C4'-P energy: -133.873
bonds (distance) P-C4' energy: -158.509
flat angles C4'-P-C4' energy: -170.836
flat angles P-C4'-P energy: -113.905
tors. eta vs tors. theta energy: -186.491
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: 6, replica: 8
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -2121.928226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.928226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.801674 (E_RNA)
where:
Base-Base interactions energy: -1430.147
where: short stacking energy: -611.415
Base-Backbone interact. energy: 2.075
local terms energy: -695.728740
where:
bonds (distance) C4'-P energy: -131.057
bonds (distance) P-C4' energy: -149.624
flat angles C4'-P-C4' energy: -146.645
flat angles P-C4'-P energy: -115.362
tors. eta vs tors. theta energy: -153.041
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: 6
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -2088.719473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.719473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.927058 (E_RNA)
where:
Base-Base interactions energy: -1409.142
where: short stacking energy: -644.911
Base-Backbone interact. energy: 0.434
local terms energy: -683.219530
where:
bonds (distance) C4'-P energy: -139.897
bonds (distance) P-C4' energy: -146.194
flat angles C4'-P-C4' energy: -146.557
flat angles P-C4'-P energy: -80.751
tors. eta vs tors. theta energy: -169.822
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: 8, replica: 5
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -2009.487633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.487633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.033526 (E_RNA)
where:
Base-Base interactions energy: -1323.787
where: short stacking energy: -569.452
Base-Backbone interact. energy: -2.237
local terms energy: -686.009769
where:
bonds (distance) C4'-P energy: -138.640
bonds (distance) P-C4' energy: -149.255
flat angles C4'-P-C4' energy: -152.808
flat angles P-C4'-P energy: -93.225
tors. eta vs tors. theta energy: -152.082
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: 9, replica: 1
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -1882.688352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.688352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.825949 (E_RNA)
where:
Base-Base interactions energy: -1279.662
where: short stacking energy: -535.521
Base-Backbone interact. energy: -3.384
local terms energy: -601.779847
where:
bonds (distance) C4'-P energy: -123.450
bonds (distance) P-C4' energy: -121.900
flat angles C4'-P-C4' energy: -146.188
flat angles P-C4'-P energy: -71.427
tors. eta vs tors. theta energy: -138.815
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: 3
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -1802.852606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.852606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.756267 (E_RNA)
where:
Base-Base interactions energy: -1228.323
where: short stacking energy: -493.488
Base-Backbone interact. energy: -4.205
local terms energy: -578.228754
where:
bonds (distance) C4'-P energy: -134.083
bonds (distance) P-C4' energy: -136.803
flat angles C4'-P-C4' energy: -137.342
flat angles P-C4'-P energy: -66.737
tors. eta vs tors. theta energy: -103.264
Dist. restrs. and SS energy: 7.904 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -2824.137495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.137495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.347588 (E_RNA)
where:
Base-Base interactions energy: -1933.687
where: short stacking energy: -832.377
Base-Backbone interact. energy: 1.032
local terms energy: -892.692528
where:
bonds (distance) C4'-P energy: -153.705
bonds (distance) P-C4' energy: -166.050
flat angles C4'-P-C4' energy: -188.969
flat angles P-C4'-P energy: -129.878
tors. eta vs tors. theta energy: -254.091
Dist. restrs. and SS energy: 1.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -2720.957319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.957319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.061059 (E_RNA)
where:
Base-Base interactions energy: -1880.816
where: short stacking energy: -787.511
Base-Backbone interact. energy: -0.783
local terms energy: -840.461774
where:
bonds (distance) C4'-P energy: -155.010
bonds (distance) P-C4' energy: -171.240
flat angles C4'-P-C4' energy: -176.875
flat angles P-C4'-P energy: -119.606
tors. eta vs tors. theta energy: -217.731
Dist. restrs. and SS energy: 1.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -2582.970425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.970425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.136340 (E_RNA)
where:
Base-Base interactions energy: -1741.355
where: short stacking energy: -778.827
Base-Backbone interact. energy: -1.933
local terms energy: -841.849000
where:
bonds (distance) C4'-P energy: -154.330
bonds (distance) P-C4' energy: -167.394
flat angles C4'-P-C4' energy: -181.184
flat angles P-C4'-P energy: -117.805
tors. eta vs tors. theta energy: -221.136
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: 4, replica: 7
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -2468.045578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.045578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.125309 (E_RNA)
where:
Base-Base interactions energy: -1689.804
where: short stacking energy: -710.531
Base-Backbone interact. energy: -2.968
local terms energy: -776.353262
where:
bonds (distance) C4'-P energy: -149.154
bonds (distance) P-C4' energy: -146.055
flat angles C4'-P-C4' energy: -159.130
flat angles P-C4'-P energy: -107.323
tors. eta vs tors. theta energy: -214.690
Dist. restrs. and SS energy: 1.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -2286.732710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.732710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.893692 (E_RNA)
where:
Base-Base interactions energy: -1538.393
where: short stacking energy: -659.383
Base-Backbone interact. energy: -1.842
local terms energy: -747.659182
where:
bonds (distance) C4'-P energy: -143.178
bonds (distance) P-C4' energy: -157.494
flat angles C4'-P-C4' energy: -161.809
flat angles P-C4'-P energy: -99.744
tors. eta vs tors. theta energy: -185.433
Dist. restrs. and SS energy: 1.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -2202.475588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.475588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.121410 (E_RNA)
where:
Base-Base interactions energy: -1500.359
where: short stacking energy: -658.536
Base-Backbone interact. energy: -0.305
local terms energy: -703.457443
where:
bonds (distance) C4'-P energy: -136.399
bonds (distance) P-C4' energy: -147.138
flat angles C4'-P-C4' energy: -154.848
flat angles P-C4'-P energy: -88.546
tors. eta vs tors. theta energy: -176.525
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: 7, replica: 6
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -2055.519076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.519076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.847711 (E_RNA)
where:
Base-Base interactions energy: -1398.714
where: short stacking energy: -596.493
Base-Backbone interact. energy: 7.955
local terms energy: -666.088178
where:
bonds (distance) C4'-P energy: -130.307
bonds (distance) P-C4' energy: -142.270
flat angles C4'-P-C4' energy: -140.824
flat angles P-C4'-P energy: -96.006
tors. eta vs tors. theta energy: -156.681
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: 8, replica: 5
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -2003.054221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.054221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.019554 (E_RNA)
where:
Base-Base interactions energy: -1350.751
where: short stacking energy: -588.552
Base-Backbone interact. energy: -0.839
local terms energy: -655.429596
where:
bonds (distance) C4'-P energy: -120.737
bonds (distance) P-C4' energy: -136.670
flat angles C4'-P-C4' energy: -144.132
flat angles P-C4'-P energy: -100.359
tors. eta vs tors. theta energy: -153.532
Dist. restrs. and SS energy: 3.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -1870.714892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.714892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.277236 (E_RNA)
where:
Base-Base interactions energy: -1314.945
where: short stacking energy: -531.879
Base-Backbone interact. energy: 1.009
local terms energy: -559.341251
where:
bonds (distance) C4'-P energy: -119.820
bonds (distance) P-C4' energy: -119.183
flat angles C4'-P-C4' energy: -116.273
flat angles P-C4'-P energy: -75.361
tors. eta vs tors. theta energy: -128.705
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: 168
Temperature: 1.350000
Total energy: -1935.486382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.486382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.507950 (E_RNA)
where:
Base-Base interactions energy: -1288.134
where: short stacking energy: -558.994
Base-Backbone interact. energy: -1.836
local terms energy: -649.538165
where:
bonds (distance) C4'-P energy: -136.515
bonds (distance) P-C4' energy: -130.561
flat angles C4'-P-C4' energy: -140.618
flat angles P-C4'-P energy: -93.997
tors. eta vs tors. theta energy: -147.846
Dist. restrs. and SS energy: 4.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -2836.373616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2836.373616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.105952 (E_RNA)
where:
Base-Base interactions energy: -1966.612
where: short stacking energy: -847.978
Base-Backbone interact. energy: -2.659
local terms energy: -868.834919
where:
bonds (distance) C4'-P energy: -153.866
bonds (distance) P-C4' energy: -162.112
flat angles C4'-P-C4' energy: -184.276
flat angles P-C4'-P energy: -119.250
tors. eta vs tors. theta energy: -249.330
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: 2, replica: 10
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -2748.500357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.500357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.051366 (E_RNA)
where:
Base-Base interactions energy: -1910.719
where: short stacking energy: -799.400
Base-Backbone interact. energy: -4.491
local terms energy: -834.841438
where:
bonds (distance) C4'-P energy: -155.357
bonds (distance) P-C4' energy: -159.211
flat angles C4'-P-C4' energy: -177.065
flat angles P-C4'-P energy: -116.413
tors. eta vs tors. theta energy: -226.795
Dist. restrs. and SS energy: 1.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -2553.886716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.886716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.978298 (E_RNA)
where:
Base-Base interactions energy: -1733.666
where: short stacking energy: -757.621
Base-Backbone interact. energy: -2.786
local terms energy: -819.525623
where:
bonds (distance) C4'-P energy: -141.190
bonds (distance) P-C4' energy: -157.223
flat angles C4'-P-C4' energy: -187.653
flat angles P-C4'-P energy: -108.516
tors. eta vs tors. theta energy: -224.944
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: 4, replica: 7
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -2420.064524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.064524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.874787 (E_RNA)
where:
Base-Base interactions energy: -1626.337
where: short stacking energy: -754.049
Base-Backbone interact. energy: -2.214
local terms energy: -793.323253
where:
bonds (distance) C4'-P energy: -142.212
bonds (distance) P-C4' energy: -147.429
flat angles C4'-P-C4' energy: -175.091
flat angles P-C4'-P energy: -119.858
tors. eta vs tors. theta energy: -208.733
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: 5, replica: 4
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -2248.796461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.796461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.696143 (E_RNA)
where:
Base-Base interactions energy: -1514.584
where: short stacking energy: -650.917
Base-Backbone interact. energy: -0.834
local terms energy: -736.278829
where:
bonds (distance) C4'-P energy: -140.704
bonds (distance) P-C4' energy: -137.233
flat angles C4'-P-C4' energy: -168.808
flat angles P-C4'-P energy: -115.988
tors. eta vs tors. theta energy: -173.545
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: 6, replica: 8
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -2198.208289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.208289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.903360 (E_RNA)
where:
Base-Base interactions energy: -1445.166
where: short stacking energy: -630.848
Base-Backbone interact. energy: -1.887
local terms energy: -754.849913
where:
bonds (distance) C4'-P energy: -144.452
bonds (distance) P-C4' energy: -161.006
flat angles C4'-P-C4' energy: -169.883
flat angles P-C4'-P energy: -97.577
tors. eta vs tors. theta energy: -181.932
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: 7, replica: 6
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -2057.398515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.398515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.340409 (E_RNA)
where:
Base-Base interactions energy: -1402.164
where: short stacking energy: -582.605
Base-Backbone interact. energy: 5.078
local terms energy: -662.254695
where:
bonds (distance) C4'-P energy: -149.283
bonds (distance) P-C4' energy: -139.171
flat angles C4'-P-C4' energy: -142.316
flat angles P-C4'-P energy: -89.252
tors. eta vs tors. theta energy: -142.233
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: 8, replica: 5
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -1981.781352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.781352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.718554 (E_RNA)
where:
Base-Base interactions energy: -1358.260
where: short stacking energy: -573.065
Base-Backbone interact. energy: -3.352
local terms energy: -623.106323
where:
bonds (distance) C4'-P energy: -127.604
bonds (distance) P-C4' energy: -120.728
flat angles C4'-P-C4' energy: -149.705
flat angles P-C4'-P energy: -86.567
tors. eta vs tors. theta energy: -138.502
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: 9, replica: 3
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -1956.268948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.268948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.540840 (E_RNA)
where:
Base-Base interactions energy: -1325.726
where: short stacking energy: -566.168
Base-Backbone interact. energy: -0.951
local terms energy: -631.863789
where:
bonds (distance) C4'-P energy: -117.308
bonds (distance) P-C4' energy: -130.389
flat angles C4'-P-C4' energy: -149.955
flat angles P-C4'-P energy: -87.899
tors. eta vs tors. theta energy: -146.314
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: 10, replica: 1
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -1878.569656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.569656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.647584 (E_RNA)
where:
Base-Base interactions energy: -1313.009
where: short stacking energy: -536.026
Base-Backbone interact. energy: -0.660
local terms energy: -566.978355
where:
bonds (distance) C4'-P energy: -103.911
bonds (distance) P-C4' energy: -110.384
flat angles C4'-P-C4' energy: -148.728
flat angles P-C4'-P energy: -80.609
tors. eta vs tors. theta energy: -123.346
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: 1, replica: 9
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -2802.495261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.495261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.562463 (E_RNA)
where:
Base-Base interactions energy: -1942.117
where: short stacking energy: -837.601
Base-Backbone interact. energy: -2.112
local terms energy: -859.333565
where:
bonds (distance) C4'-P energy: -165.039
bonds (distance) P-C4' energy: -140.201
flat angles C4'-P-C4' energy: -195.820
flat angles P-C4'-P energy: -122.270
tors. eta vs tors. theta energy: -236.004
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: 2, replica: 10
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -2738.701830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.701830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.014026 (E_RNA)
where:
Base-Base interactions energy: -1861.219
where: short stacking energy: -810.965
Base-Backbone interact. energy: -1.538
local terms energy: -877.256455
where:
bonds (distance) C4'-P energy: -154.418
bonds (distance) P-C4' energy: -168.387
flat angles C4'-P-C4' energy: -194.354
flat angles P-C4'-P energy: -121.544
tors. eta vs tors. theta energy: -238.553
Dist. restrs. and SS energy: 1.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -2567.439536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.439536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.809391 (E_RNA)
where:
Base-Base interactions energy: -1742.171
where: short stacking energy: -753.637
Base-Backbone interact. energy: 0.632
local terms energy: -827.270215
where:
bonds (distance) C4'-P energy: -151.012
bonds (distance) P-C4' energy: -147.598
flat angles C4'-P-C4' energy: -179.756
flat angles P-C4'-P energy: -126.167
tors. eta vs tors. theta energy: -222.739
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: 7
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -2454.065412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.065412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.229451 (E_RNA)
where:
Base-Base interactions energy: -1657.450
where: short stacking energy: -692.774
Base-Backbone interact. energy: 3.513
local terms energy: -802.292103
where:
bonds (distance) C4'-P energy: -153.364
bonds (distance) P-C4' energy: -159.121
flat angles C4'-P-C4' energy: -164.712
flat angles P-C4'-P energy: -113.822
tors. eta vs tors. theta energy: -211.273
Dist. restrs. and SS energy: 2.164 (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: 170
Temperature: 1.100000
Total energy: -2236.605003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.605003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.928957 (E_RNA)
where:
Base-Base interactions energy: -1491.542
where: short stacking energy: -654.284
Base-Backbone interact. energy: -5.403
local terms energy: -741.984130
where:
bonds (distance) C4'-P energy: -139.970
bonds (distance) P-C4' energy: -153.044
flat angles C4'-P-C4' energy: -172.362
flat angles P-C4'-P energy: -107.842
tors. eta vs tors. theta energy: -168.767
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: 4
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -2148.120813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.120813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.659916 (E_RNA)
where:
Base-Base interactions energy: -1474.711
where: short stacking energy: -617.873
Base-Backbone interact. energy: 4.987
local terms energy: -680.935392
where:
bonds (distance) C4'-P energy: -134.120
bonds (distance) P-C4' energy: -119.048
flat angles C4'-P-C4' energy: -167.839
flat angles P-C4'-P energy: -110.287
tors. eta vs tors. theta energy: -149.641
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: 7, replica: 6
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -2086.264497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.264497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.294326 (E_RNA)
where:
Base-Base interactions energy: -1409.412
where: short stacking energy: -589.251
Base-Backbone interact. energy: 3.589
local terms energy: -681.470505
where:
bonds (distance) C4'-P energy: -127.315
bonds (distance) P-C4' energy: -137.519
flat angles C4'-P-C4' energy: -158.142
flat angles P-C4'-P energy: -94.099
tors. eta vs tors. theta energy: -164.395
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: 8, replica: 5
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -1970.569472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.569472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.715588 (E_RNA)
where:
Base-Base interactions energy: -1324.675
where: short stacking energy: -538.601
Base-Backbone interact. energy: -3.464
local terms energy: -645.576479
where:
bonds (distance) C4'-P energy: -121.127
bonds (distance) P-C4' energy: -148.539
flat angles C4'-P-C4' energy: -150.176
flat angles P-C4'-P energy: -94.959
tors. eta vs tors. theta energy: -130.776
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: 9, replica: 3
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -1928.160349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.160349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.539190 (E_RNA)
where:
Base-Base interactions energy: -1308.183
where: short stacking energy: -565.870
Base-Backbone interact. energy: -2.282
local terms energy: -620.074256
where:
bonds (distance) C4'-P energy: -128.777
bonds (distance) P-C4' energy: -122.004
flat angles C4'-P-C4' energy: -134.493
flat angles P-C4'-P energy: -82.613
tors. eta vs tors. theta energy: -152.187
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: 10, replica: 1
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -1886.008078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.008078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.109451 (E_RNA)
where:
Base-Base interactions energy: -1287.638
where: short stacking energy: -537.453
Base-Backbone interact. energy: 3.025
local terms energy: -607.496572
where:
bonds (distance) C4'-P energy: -123.599
bonds (distance) P-C4' energy: -126.512
flat angles C4'-P-C4' energy: -142.366
flat angles P-C4'-P energy: -72.626
tors. eta vs tors. theta energy: -142.394
Dist. restrs. and SS energy: 6.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -2826.587650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2826.587650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2828.325163 (E_RNA)
where:
Base-Base interactions energy: -1930.182
where: short stacking energy: -833.302
Base-Backbone interact. energy: 1.200
local terms energy: -899.343014
where:
bonds (distance) C4'-P energy: -167.933
bonds (distance) P-C4' energy: -155.808
flat angles C4'-P-C4' energy: -192.458
flat angles P-C4'-P energy: -132.430
tors. eta vs tors. theta energy: -250.714
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: 2, replica: 10
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -2713.043659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.043659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.052988 (E_RNA)
where:
Base-Base interactions energy: -1880.346
where: short stacking energy: -806.000
Base-Backbone interact. energy: -1.611
local terms energy: -832.095553
where:
bonds (distance) C4'-P energy: -151.766
bonds (distance) P-C4' energy: -145.893
flat angles C4'-P-C4' energy: -178.695
flat angles P-C4'-P energy: -110.809
tors. eta vs tors. theta energy: -244.931
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: 2
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -2563.069073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.069073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.254930 (E_RNA)
where:
Base-Base interactions energy: -1734.956
where: short stacking energy: -752.568
Base-Backbone interact. energy: -1.505
local terms energy: -827.793365
where:
bonds (distance) C4'-P energy: -158.394
bonds (distance) P-C4' energy: -147.483
flat angles C4'-P-C4' energy: -173.581
flat angles P-C4'-P energy: -126.570
tors. eta vs tors. theta energy: -221.764
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: 7
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -2427.926247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.926247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.214691 (E_RNA)
where:
Base-Base interactions energy: -1681.731
where: short stacking energy: -705.312
Base-Backbone interact. energy: 1.064
local terms energy: -748.547463
where:
bonds (distance) C4'-P energy: -133.091
bonds (distance) P-C4' energy: -139.994
flat angles C4'-P-C4' energy: -165.580
flat angles P-C4'-P energy: -100.933
tors. eta vs tors. theta energy: -208.950
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: 5, replica: 8
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -2215.973303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.973303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.829496 (E_RNA)
where:
Base-Base interactions energy: -1490.905
where: short stacking energy: -654.815
Base-Backbone interact. energy: 5.627
local terms energy: -731.550855
where:
bonds (distance) C4'-P energy: -147.499
bonds (distance) P-C4' energy: -129.990
flat angles C4'-P-C4' energy: -160.803
flat angles P-C4'-P energy: -103.873
tors. eta vs tors. theta energy: -189.385
Dist. restrs. and SS energy: 0.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -2231.827889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.827889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.881241 (E_RNA)
where:
Base-Base interactions energy: -1479.359
where: short stacking energy: -620.379
Base-Backbone interact. energy: -2.374
local terms energy: -753.147915
where:
bonds (distance) C4'-P energy: -147.148
bonds (distance) P-C4' energy: -163.828
flat angles C4'-P-C4' energy: -169.368
flat angles P-C4'-P energy: -98.822
tors. eta vs tors. theta energy: -173.982
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: 7, replica: 6
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -2094.104235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.104235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.795203 (E_RNA)
where:
Base-Base interactions energy: -1412.687
where: short stacking energy: -621.091
Base-Backbone interact. energy: 5.542
local terms energy: -689.649875
where:
bonds (distance) C4'-P energy: -143.042
bonds (distance) P-C4' energy: -127.474
flat angles C4'-P-C4' energy: -156.632
flat angles P-C4'-P energy: -102.372
tors. eta vs tors. theta energy: -160.130
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: 8, replica: 5
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -2013.963230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.963230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.524436 (E_RNA)
where:
Base-Base interactions energy: -1323.830
where: short stacking energy: -565.526
Base-Backbone interact. energy: -1.650
local terms energy: -693.044204
where:
bonds (distance) C4'-P energy: -112.477
bonds (distance) P-C4' energy: -154.668
flat angles C4'-P-C4' energy: -147.793
flat angles P-C4'-P energy: -107.257
tors. eta vs tors. theta energy: -170.850
Dist. restrs. and SS energy: 4.561 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -1903.017253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.017253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.302222 (E_RNA)
where:
Base-Base interactions energy: -1273.061
where: short stacking energy: -529.727
Base-Backbone interact. energy: -0.066
local terms energy: -635.175081
where:
bonds (distance) C4'-P energy: -133.334
bonds (distance) P-C4' energy: -124.616
flat angles C4'-P-C4' energy: -160.015
flat angles P-C4'-P energy: -84.252
tors. eta vs tors. theta energy: -132.959
Dist. restrs. and SS energy: 5.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -1869.356508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.356508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.534544 (E_RNA)
where:
Base-Base interactions energy: -1265.675
where: short stacking energy: -522.117
Base-Backbone interact. energy: -2.221
local terms energy: -605.638935
where:
bonds (distance) C4'-P energy: -137.616
bonds (distance) P-C4' energy: -121.947
flat angles C4'-P-C4' energy: -133.584
flat angles P-C4'-P energy: -86.328
tors. eta vs tors. theta energy: -126.163
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: 1, replica: 9
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -2792.681769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.681769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.948939 (E_RNA)
where:
Base-Base interactions energy: -1923.251
where: short stacking energy: -805.937
Base-Backbone interact. energy: 0.762
local terms energy: -871.460467
where:
bonds (distance) C4'-P energy: -154.813
bonds (distance) P-C4' energy: -160.169
flat angles C4'-P-C4' energy: -186.619
flat angles P-C4'-P energy: -133.429
tors. eta vs tors. theta energy: -236.431
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: 2, replica: 10
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -2784.804017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.804017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.522597 (E_RNA)
where:
Base-Base interactions energy: -1916.732
where: short stacking energy: -833.605
Base-Backbone interact. energy: 5.704
local terms energy: -875.495050
where:
bonds (distance) C4'-P energy: -143.467
bonds (distance) P-C4' energy: -157.071
flat angles C4'-P-C4' energy: -198.806
flat angles P-C4'-P energy: -134.222
tors. eta vs tors. theta energy: -241.929
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: 3, replica: 2
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -2542.115414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.115414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.669523 (E_RNA)
where:
Base-Base interactions energy: -1731.562
where: short stacking energy: -769.776
Base-Backbone interact. energy: -2.714
local terms energy: -809.393884
where:
bonds (distance) C4'-P energy: -145.474
bonds (distance) P-C4' energy: -153.214
flat angles C4'-P-C4' energy: -181.414
flat angles P-C4'-P energy: -111.829
tors. eta vs tors. theta energy: -217.464
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: 4, replica: 7
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -2382.712488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.712488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.085740 (E_RNA)
where:
Base-Base interactions energy: -1615.725
where: short stacking energy: -719.977
Base-Backbone interact. energy: -2.304
local terms energy: -766.056352
where:
bonds (distance) C4'-P energy: -139.612
bonds (distance) P-C4' energy: -149.292
flat angles C4'-P-C4' energy: -167.715
flat angles P-C4'-P energy: -121.894
tors. eta vs tors. theta energy: -187.543
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: 5, replica: 8
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -2193.610661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.610661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.653073 (E_RNA)
where:
Base-Base interactions energy: -1441.325
where: short stacking energy: -637.051
Base-Backbone interact. energy: -0.993
local terms energy: -753.334431
where:
bonds (distance) C4'-P energy: -144.845
bonds (distance) P-C4' energy: -162.678
flat angles C4'-P-C4' energy: -160.662
flat angles P-C4'-P energy: -108.146
tors. eta vs tors. theta energy: -177.004
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: 6, replica: 4
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -2172.871086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.871086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.179865 (E_RNA)
where:
Base-Base interactions energy: -1471.354
where: short stacking energy: -655.171
Base-Backbone interact. energy: -3.326
local terms energy: -701.500010
where:
bonds (distance) C4'-P energy: -126.355
bonds (distance) P-C4' energy: -145.650
flat angles C4'-P-C4' energy: -156.746
flat angles P-C4'-P energy: -96.461
tors. eta vs tors. theta energy: -176.289
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: 7, replica: 6
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -2079.793652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.793652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.731673 (E_RNA)
where:
Base-Base interactions energy: -1378.076
where: short stacking energy: -598.367
Base-Backbone interact. energy: 5.608
local terms energy: -712.263595
where:
bonds (distance) C4'-P energy: -140.472
bonds (distance) P-C4' energy: -145.438
flat angles C4'-P-C4' energy: -154.018
flat angles P-C4'-P energy: -101.495
tors. eta vs tors. theta energy: -170.840
Dist. restrs. and SS energy: 4.938 (S_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: 172
Temperature: 1.250000
Total energy: -1936.055555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.055555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.115976 (E_RNA)
where:
Base-Base interactions energy: -1325.365
where: short stacking energy: -561.159
Base-Backbone interact. energy: -1.099
local terms energy: -612.651158
where:
bonds (distance) C4'-P energy: -114.219
bonds (distance) P-C4' energy: -133.259
flat angles C4'-P-C4' energy: -149.174
flat angles P-C4'-P energy: -84.102
tors. eta vs tors. theta energy: -131.897
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: 9, replica: 3
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -1940.012148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.012148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.623327 (E_RNA)
where:
Base-Base interactions energy: -1314.757
where: short stacking energy: -578.435
Base-Backbone interact. energy: 4.294
local terms energy: -635.160102
where:
bonds (distance) C4'-P energy: -117.952
bonds (distance) P-C4' energy: -136.734
flat angles C4'-P-C4' energy: -143.733
flat angles P-C4'-P energy: -82.660
tors. eta vs tors. theta energy: -154.081
Dist. restrs. and SS energy: 5.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -1920.941552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.941552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.269642 (E_RNA)
where:
Base-Base interactions energy: -1305.705
where: short stacking energy: -585.600
Base-Backbone interact. energy: -0.833
local terms energy: -616.731642
where:
bonds (distance) C4'-P energy: -130.363
bonds (distance) P-C4' energy: -122.359
flat angles C4'-P-C4' energy: -140.435
flat angles P-C4'-P energy: -78.257
tors. eta vs tors. theta energy: -145.319
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: 1, replica: 9
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -2799.601801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.601801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.956352 (E_RNA)
where:
Base-Base interactions energy: -1899.225
where: short stacking energy: -834.327
Base-Backbone interact. energy: -2.004
local terms energy: -900.726613
where:
bonds (distance) C4'-P energy: -164.547
bonds (distance) P-C4' energy: -154.216
flat angles C4'-P-C4' energy: -189.508
flat angles P-C4'-P energy: -133.447
tors. eta vs tors. theta energy: -259.009
Dist. restrs. and SS energy: 2.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -2747.024574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.024574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.809158 (E_RNA)
where:
Base-Base interactions energy: -1849.062
where: short stacking energy: -793.641
Base-Backbone interact. energy: -1.664
local terms energy: -898.083017
where:
bonds (distance) C4'-P energy: -160.672
bonds (distance) P-C4' energy: -173.714
flat angles C4'-P-C4' energy: -188.938
flat angles P-C4'-P energy: -121.328
tors. eta vs tors. theta energy: -253.430
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: 3, replica: 2
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -2560.656361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.656361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.370607 (E_RNA)
where:
Base-Base interactions energy: -1722.755
where: short stacking energy: -771.724
Base-Backbone interact. energy: -4.446
local terms energy: -835.170247
where:
bonds (distance) C4'-P energy: -157.144
bonds (distance) P-C4' energy: -168.658
flat angles C4'-P-C4' energy: -176.844
flat angles P-C4'-P energy: -108.852
tors. eta vs tors. theta energy: -223.673
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: 4, replica: 7
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -2421.326559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.326559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.021653 (E_RNA)
where:
Base-Base interactions energy: -1644.414
where: short stacking energy: -728.237
Base-Backbone interact. energy: 0.484
local terms energy: -779.091842
where:
bonds (distance) C4'-P energy: -148.675
bonds (distance) P-C4' energy: -129.220
flat angles C4'-P-C4' energy: -182.129
flat angles P-C4'-P energy: -112.577
tors. eta vs tors. theta energy: -206.491
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: 5, replica: 8
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -2254.988883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.988883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.025202 (E_RNA)
where:
Base-Base interactions energy: -1498.688
where: short stacking energy: -694.059
Base-Backbone interact. energy: -3.907
local terms energy: -755.430570
where:
bonds (distance) C4'-P energy: -142.700
bonds (distance) P-C4' energy: -169.570
flat angles C4'-P-C4' energy: -146.616
flat angles P-C4'-P energy: -103.976
tors. eta vs tors. theta energy: -192.569
Dist. restrs. and SS energy: 3.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -2202.664926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.664926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.328323 (E_RNA)
where:
Base-Base interactions energy: -1520.667
where: short stacking energy: -634.833
Base-Backbone interact. energy: 0.295
local terms energy: -683.956773
where:
bonds (distance) C4'-P energy: -133.429
bonds (distance) P-C4' energy: -117.963
flat angles C4'-P-C4' energy: -169.955
flat angles P-C4'-P energy: -98.271
tors. eta vs tors. theta energy: -164.338
Dist. restrs. and SS energy: 1.663 (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: 6
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -2073.048969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.048969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.677628 (E_RNA)
where:
Base-Base interactions energy: -1395.917
where: short stacking energy: -603.955
Base-Backbone interact. energy: 1.642
local terms energy: -680.402874
where:
bonds (distance) C4'-P energy: -126.543
bonds (distance) P-C4' energy: -131.636
flat angles C4'-P-C4' energy: -164.069
flat angles P-C4'-P energy: -112.294
tors. eta vs tors. theta energy: -145.861
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: 8, replica: 3
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -2020.860790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.860790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.370380 (E_RNA)
where:
Base-Base interactions energy: -1352.317
where: short stacking energy: -570.957
Base-Backbone interact. energy: -5.031
local terms energy: -669.022367
where:
bonds (distance) C4'-P energy: -143.104
bonds (distance) P-C4' energy: -137.065
flat angles C4'-P-C4' energy: -150.791
flat angles P-C4'-P energy: -90.580
tors. eta vs tors. theta energy: -147.483
Dist. restrs. and SS energy: 5.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -1916.057917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.057917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.218727 (E_RNA)
where:
Base-Base interactions energy: -1277.309
where: short stacking energy: -520.443
Base-Backbone interact. energy: -0.183
local terms energy: -641.727092
where:
bonds (distance) C4'-P energy: -130.094
bonds (distance) P-C4' energy: -140.790
flat angles C4'-P-C4' energy: -141.701
flat angles P-C4'-P energy: -96.750
tors. eta vs tors. theta energy: -132.391
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: 10, replica: 1
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -1898.826770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.826770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.402967 (E_RNA)
where:
Base-Base interactions energy: -1306.885
where: short stacking energy: -547.212
Base-Backbone interact. energy: 0.490
local terms energy: -595.008596
where:
bonds (distance) C4'-P energy: -130.524
bonds (distance) P-C4' energy: -119.397
flat angles C4'-P-C4' energy: -133.890
flat angles P-C4'-P energy: -75.472
tors. eta vs tors. theta energy: -135.726
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: 174
Temperature: 0.900000
Total energy: -2811.032846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.032846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.236246 (E_RNA)
where:
Base-Base interactions energy: -1921.078
where: short stacking energy: -848.093
Base-Backbone interact. energy: -3.340
local terms energy: -887.818153
where:
bonds (distance) C4'-P energy: -150.786
bonds (distance) P-C4' energy: -164.565
flat angles C4'-P-C4' energy: -195.861
flat angles P-C4'-P energy: -121.147
tors. eta vs tors. theta energy: -255.458
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: 10
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -2733.261997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.261997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.315563 (E_RNA)
where:
Base-Base interactions energy: -1874.662
where: short stacking energy: -831.738
Base-Backbone interact. energy: 0.337
local terms energy: -859.990899
where:
bonds (distance) C4'-P energy: -163.558
bonds (distance) P-C4' energy: -137.086
flat angles C4'-P-C4' energy: -177.878
flat angles P-C4'-P energy: -127.272
tors. eta vs tors. theta energy: -254.197
Dist. restrs. and SS energy: 1.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -2543.018508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.018508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.481857 (E_RNA)
where:
Base-Base interactions energy: -1735.967
where: short stacking energy: -751.226
Base-Backbone interact. energy: 9.045
local terms energy: -818.560627
where:
bonds (distance) C4'-P energy: -141.390
bonds (distance) P-C4' energy: -156.256
flat angles C4'-P-C4' energy: -193.056
flat angles P-C4'-P energy: -117.947
tors. eta vs tors. theta energy: -209.911
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: 4, replica: 7
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -2370.422039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.422039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.323814 (E_RNA)
where:
Base-Base interactions energy: -1594.105
where: short stacking energy: -670.031
Base-Backbone interact. energy: 4.032
local terms energy: -782.250308
where:
bonds (distance) C4'-P energy: -158.084
bonds (distance) P-C4' energy: -157.595
flat angles C4'-P-C4' energy: -169.012
flat angles P-C4'-P energy: -113.718
tors. eta vs tors. theta energy: -183.841
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: 5, replica: 4
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -2252.495209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.495209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.445807 (E_RNA)
where:
Base-Base interactions energy: -1543.249
where: short stacking energy: -641.273
Base-Backbone interact. energy: -0.358
local terms energy: -711.838138
where:
bonds (distance) C4'-P energy: -144.084
bonds (distance) P-C4' energy: -142.467
flat angles C4'-P-C4' energy: -164.959
flat angles P-C4'-P energy: -92.290
tors. eta vs tors. theta energy: -168.039
Dist. restrs. and SS energy: 2.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -2151.662765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.662765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.745580 (E_RNA)
where:
Base-Base interactions energy: -1459.742
where: short stacking energy: -636.492
Base-Backbone interact. energy: -0.918
local terms energy: -694.085933
where:
bonds (distance) C4'-P energy: -148.399
bonds (distance) P-C4' energy: -124.823
flat angles C4'-P-C4' energy: -151.652
flat angles P-C4'-P energy: -98.288
tors. eta vs tors. theta energy: -170.924
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: 7, replica: 3
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -2158.359360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.359360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.089327 (E_RNA)
where:
Base-Base interactions energy: -1464.411
where: short stacking energy: -641.548
Base-Backbone interact. energy: -0.301
local terms energy: -695.377537
where:
bonds (distance) C4'-P energy: -140.331
bonds (distance) P-C4' energy: -141.749
flat angles C4'-P-C4' energy: -151.573
flat angles P-C4'-P energy: -90.208
tors. eta vs tors. theta energy: -171.516
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: 8, replica: 6
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -1978.800058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.800058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.116481 (E_RNA)
where:
Base-Base interactions energy: -1339.699
where: short stacking energy: -557.670
Base-Backbone interact. energy: -2.421
local terms energy: -639.996230
where:
bonds (distance) C4'-P energy: -131.832
bonds (distance) P-C4' energy: -133.516
flat angles C4'-P-C4' energy: -150.202
flat angles P-C4'-P energy: -96.738
tors. eta vs tors. theta energy: -127.710
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: 9, replica: 5
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -1886.580642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.580642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.642941 (E_RNA)
where:
Base-Base interactions energy: -1277.835
where: short stacking energy: -544.019
Base-Backbone interact. energy: 2.763
local terms energy: -613.570946
where:
bonds (distance) C4'-P energy: -106.379
bonds (distance) P-C4' energy: -126.576
flat angles C4'-P-C4' energy: -138.185
flat angles P-C4'-P energy: -79.605
tors. eta vs tors. theta energy: -162.826
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: 10, replica: 1
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -1884.788381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.788381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.498335 (E_RNA)
where:
Base-Base interactions energy: -1297.929
where: short stacking energy: -512.761
Base-Backbone interact. energy: 4.258
local terms energy: -593.827205
where:
bonds (distance) C4'-P energy: -123.217
bonds (distance) P-C4' energy: -125.490
flat angles C4'-P-C4' energy: -140.591
flat angles P-C4'-P energy: -82.417
tors. eta vs tors. theta energy: -122.113
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: 1, replica: 9
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -2812.485094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.485094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.681612 (E_RNA)
where:
Base-Base interactions energy: -1941.043
where: short stacking energy: -856.447
Base-Backbone interact. energy: 1.813
local terms energy: -874.452331
where:
bonds (distance) C4'-P energy: -167.661
bonds (distance) P-C4' energy: -145.626
flat angles C4'-P-C4' energy: -185.235
flat angles P-C4'-P energy: -118.826
tors. eta vs tors. theta energy: -257.105
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: 2, replica: 10
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -2746.252597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.252597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.063083 (E_RNA)
where:
Base-Base interactions energy: -1866.436
where: short stacking energy: -820.944
Base-Backbone interact. energy: -4.437
local terms energy: -877.190285
where:
bonds (distance) C4'-P energy: -163.448
bonds (distance) P-C4' energy: -154.942
flat angles C4'-P-C4' energy: -189.363
flat angles P-C4'-P energy: -123.453
tors. eta vs tors. theta energy: -245.984
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: 3, replica: 2
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -2531.692795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.692795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.120027 (E_RNA)
where:
Base-Base interactions energy: -1719.484
where: short stacking energy: -725.175
Base-Backbone interact. energy: 3.268
local terms energy: -816.903949
where:
bonds (distance) C4'-P energy: -146.805
bonds (distance) P-C4' energy: -158.814
flat angles C4'-P-C4' energy: -188.742
flat angles P-C4'-P energy: -118.273
tors. eta vs tors. theta energy: -204.270
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: 4, replica: 4
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -2309.387875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.387875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.870570 (E_RNA)
where:
Base-Base interactions energy: -1544.355
where: short stacking energy: -682.782
Base-Backbone interact. energy: 1.487
local terms energy: -768.002915
where:
bonds (distance) C4'-P energy: -135.543
bonds (distance) P-C4' energy: -162.707
flat angles C4'-P-C4' energy: -164.272
flat angles P-C4'-P energy: -110.892
tors. eta vs tors. theta energy: -194.588
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: 5, replica: 7
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -2249.484509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.484509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.439027 (E_RNA)
where:
Base-Base interactions energy: -1533.481
where: short stacking energy: -659.329
Base-Backbone interact. energy: -2.015
local terms energy: -714.942787
where:
bonds (distance) C4'-P energy: -131.826
bonds (distance) P-C4' energy: -151.147
flat angles C4'-P-C4' energy: -165.882
flat angles P-C4'-P energy: -92.418
tors. eta vs tors. theta energy: -173.669
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: 6, replica: 3
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -2157.346086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.346086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.043597 (E_RNA)
where:
Base-Base interactions energy: -1451.674
where: short stacking energy: -647.470
Base-Backbone interact. energy: -2.274
local terms energy: -705.096177
where:
bonds (distance) C4'-P energy: -125.805
bonds (distance) P-C4' energy: -150.947
flat angles C4'-P-C4' energy: -165.074
flat angles P-C4'-P energy: -99.973
tors. eta vs tors. theta energy: -163.297
Dist. restrs. and SS energy: 1.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -2123.469480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.469480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.319342 (E_RNA)
where:
Base-Base interactions energy: -1392.666
where: short stacking energy: -605.383
Base-Backbone interact. energy: -1.630
local terms energy: -732.023136
where:
bonds (distance) C4'-P energy: -127.131
bonds (distance) P-C4' energy: -144.727
flat angles C4'-P-C4' energy: -157.068
flat angles P-C4'-P energy: -127.077
tors. eta vs tors. theta energy: -176.020
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: 5
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -1966.226610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.226610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.154771 (E_RNA)
where:
Base-Base interactions energy: -1307.666
where: short stacking energy: -569.331
Base-Backbone interact. energy: -3.357
local terms energy: -658.131993
where:
bonds (distance) C4'-P energy: -131.108
bonds (distance) P-C4' energy: -138.859
flat angles C4'-P-C4' energy: -148.569
flat angles P-C4'-P energy: -101.020
tors. eta vs tors. theta energy: -138.575
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: 9, replica: 6
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -1899.610767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.610767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.497941 (E_RNA)
where:
Base-Base interactions energy: -1260.876
where: short stacking energy: -539.825
Base-Backbone interact. energy: 2.331
local terms energy: -649.953157
where:
bonds (distance) C4'-P energy: -140.972
bonds (distance) P-C4' energy: -138.855
flat angles C4'-P-C4' energy: -145.789
flat angles P-C4'-P energy: -91.779
tors. eta vs tors. theta energy: -132.558
Dist. restrs. and SS energy: 8.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -1883.236363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.236363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.060578 (E_RNA)
where:
Base-Base interactions energy: -1277.207
where: short stacking energy: -512.437
Base-Backbone interact. energy: -2.989
local terms energy: -611.864865
where:
bonds (distance) C4'-P energy: -131.505
bonds (distance) P-C4' energy: -132.965
flat angles C4'-P-C4' energy: -146.885
flat angles P-C4'-P energy: -66.846
tors. eta vs tors. theta energy: -133.663
Dist. restrs. and SS energy: 8.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -2831.080037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2831.080037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2833.132543 (E_RNA)
where:
Base-Base interactions energy: -1954.412
where: short stacking energy: -851.173
Base-Backbone interact. energy: 7.841
local terms energy: -886.561332
where:
bonds (distance) C4'-P energy: -150.572
bonds (distance) P-C4' energy: -168.136
flat angles C4'-P-C4' energy: -188.352
flat angles P-C4'-P energy: -123.113
tors. eta vs tors. theta energy: -256.388
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: 2, replica: 10
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -2719.613856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.613856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.086043 (E_RNA)
where:
Base-Base interactions energy: -1860.952
where: short stacking energy: -801.166
Base-Backbone interact. energy: 3.399
local terms energy: -863.533056
where:
bonds (distance) C4'-P energy: -168.388
bonds (distance) P-C4' energy: -155.456
flat angles C4'-P-C4' energy: -185.396
flat angles P-C4'-P energy: -122.386
tors. eta vs tors. theta energy: -231.907
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: 3, replica: 2
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -2549.987586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.987586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.921719 (E_RNA)
where:
Base-Base interactions energy: -1741.468
where: short stacking energy: -799.054
Base-Backbone interact. energy: -3.455
local terms energy: -806.997866
where:
bonds (distance) C4'-P energy: -140.587
bonds (distance) P-C4' energy: -151.206
flat angles C4'-P-C4' energy: -176.418
flat angles P-C4'-P energy: -119.073
tors. eta vs tors. theta energy: -219.714
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: 4
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -2377.581452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.581452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.978323 (E_RNA)
where:
Base-Base interactions energy: -1618.935
where: short stacking energy: -714.266
Base-Backbone interact. energy: 1.592
local terms energy: -761.635327
where:
bonds (distance) C4'-P energy: -137.236
bonds (distance) P-C4' energy: -154.320
flat angles C4'-P-C4' energy: -164.809
flat angles P-C4'-P energy: -105.000
tors. eta vs tors. theta energy: -200.270
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: 5, replica: 7
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -2266.967249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.967249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.147594 (E_RNA)
where:
Base-Base interactions energy: -1521.388
where: short stacking energy: -670.846
Base-Backbone interact. energy: -3.303
local terms energy: -745.456428
where:
bonds (distance) C4'-P energy: -138.484
bonds (distance) P-C4' energy: -148.369
flat angles C4'-P-C4' energy: -177.003
flat angles P-C4'-P energy: -103.056
tors. eta vs tors. theta energy: -178.545
Dist. restrs. and SS energy: 3.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -2209.870573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.870573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.408941 (E_RNA)
where:
Base-Base interactions energy: -1477.639
where: short stacking energy: -630.605
Base-Backbone interact. energy: -1.752
local terms energy: -732.017602
where:
bonds (distance) C4'-P energy: -136.188
bonds (distance) P-C4' energy: -145.922
flat angles C4'-P-C4' energy: -170.076
flat angles P-C4'-P energy: -101.478
tors. eta vs tors. theta energy: -178.354
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: 7, replica: 8
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -2088.493056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.493056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.442948 (E_RNA)
where:
Base-Base interactions energy: -1388.852
where: short stacking energy: -565.003
Base-Backbone interact. energy: -4.863
local terms energy: -697.728462
where:
bonds (distance) C4'-P energy: -134.681
bonds (distance) P-C4' energy: -157.940
flat angles C4'-P-C4' energy: -148.773
flat angles P-C4'-P energy: -111.787
tors. eta vs tors. theta energy: -144.547
Dist. restrs. and SS energy: 2.950 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -1992.091968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.091968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.205297 (E_RNA)
where:
Base-Base interactions energy: -1345.639
where: short stacking energy: -579.099
Base-Backbone interact. energy: 5.125
local terms energy: -655.690742
where:
bonds (distance) C4'-P energy: -140.612
bonds (distance) P-C4' energy: -127.073
flat angles C4'-P-C4' energy: -154.643
flat angles P-C4'-P energy: -87.041
tors. eta vs tors. theta energy: -146.322
Dist. restrs. and SS energy: 4.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -1952.306752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.306752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.107915 (E_RNA)
where:
Base-Base interactions energy: -1322.814
where: short stacking energy: -548.760
Base-Backbone interact. energy: -0.345
local terms energy: -631.948876
where:
bonds (distance) C4'-P energy: -118.500
bonds (distance) P-C4' energy: -148.475
flat angles C4'-P-C4' energy: -136.657
flat angles P-C4'-P energy: -90.230
tors. eta vs tors. theta energy: -138.087
Dist. restrs. and SS energy: 2.801 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -1866.066433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.066433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.075779 (E_RNA)
where:
Base-Base interactions energy: -1254.641
where: short stacking energy: -512.976
Base-Backbone interact. energy: 2.003
local terms energy: -616.437297
where:
bonds (distance) C4'-P energy: -116.890
bonds (distance) P-C4' energy: -118.790
flat angles C4'-P-C4' energy: -131.165
flat angles P-C4'-P energy: -103.464
tors. eta vs tors. theta energy: -146.128
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: 1, replica: 9
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -2839.358076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2839.358076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2841.530062 (E_RNA)
where:
Base-Base interactions energy: -1969.589
where: short stacking energy: -841.557
Base-Backbone interact. energy: 8.828
local terms energy: -880.769613
where:
bonds (distance) C4'-P energy: -166.452
bonds (distance) P-C4' energy: -148.496
flat angles C4'-P-C4' energy: -190.342
flat angles P-C4'-P energy: -125.502
tors. eta vs tors. theta energy: -249.977
Dist. restrs. and SS energy: 2.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -2718.824942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.824942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.413701 (E_RNA)
where:
Base-Base interactions energy: -1875.721
where: short stacking energy: -804.147
Base-Backbone interact. energy: -3.588
local terms energy: -841.104815
where:
bonds (distance) C4'-P energy: -128.141
bonds (distance) P-C4' energy: -155.928
flat angles C4'-P-C4' energy: -181.683
flat angles P-C4'-P energy: -131.427
tors. eta vs tors. theta energy: -243.925
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: 2
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -2624.221489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.221489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.710088 (E_RNA)
where:
Base-Base interactions energy: -1753.057
where: short stacking energy: -790.649
Base-Backbone interact. energy: -4.170
local terms energy: -869.482807
where:
bonds (distance) C4'-P energy: -149.886
bonds (distance) P-C4' energy: -171.082
flat angles C4'-P-C4' energy: -187.890
flat angles P-C4'-P energy: -123.176
tors. eta vs tors. theta energy: -237.449
Dist. restrs. and SS energy: 2.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -2375.578056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.578056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.286165 (E_RNA)
where:
Base-Base interactions energy: -1593.201
where: short stacking energy: -686.967
Base-Backbone interact. energy: 4.178
local terms energy: -789.263155
where:
bonds (distance) C4'-P energy: -153.158
bonds (distance) P-C4' energy: -146.029
flat angles C4'-P-C4' energy: -171.433
flat angles P-C4'-P energy: -113.148
tors. eta vs tors. theta energy: -205.495
Dist. restrs. and SS energy: 2.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -2296.090142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.090142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.192468 (E_RNA)
where:
Base-Base interactions energy: -1535.366
where: short stacking energy: -638.304
Base-Backbone interact. energy: -4.313
local terms energy: -758.513566
where:
bonds (distance) C4'-P energy: -140.713
bonds (distance) P-C4' energy: -150.473
flat angles C4'-P-C4' energy: -165.810
flat angles P-C4'-P energy: -111.221
tors. eta vs tors. theta energy: -190.296
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: 8
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -2184.828551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.828551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.035677 (E_RNA)
where:
Base-Base interactions energy: -1470.759
where: short stacking energy: -646.540
Base-Backbone interact. energy: 4.228
local terms energy: -720.504886
where:
bonds (distance) C4'-P energy: -137.059
bonds (distance) P-C4' energy: -140.959
flat angles C4'-P-C4' energy: -157.083
flat angles P-C4'-P energy: -87.426
tors. eta vs tors. theta energy: -197.977
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: 7, replica: 3
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -2104.271571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.271571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.395531 (E_RNA)
where:
Base-Base interactions energy: -1403.069
where: short stacking energy: -592.256
Base-Backbone interact. energy: -1.708
local terms energy: -701.618214
where:
bonds (distance) C4'-P energy: -146.346
bonds (distance) P-C4' energy: -157.904
flat angles C4'-P-C4' energy: -156.573
flat angles P-C4'-P energy: -87.004
tors. eta vs tors. theta energy: -153.791
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: 8, replica: 1
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -2053.060507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.060507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.414835 (E_RNA)
where:
Base-Base interactions energy: -1406.021
where: short stacking energy: -575.972
Base-Backbone interact. energy: -2.027
local terms energy: -648.367373
where:
bonds (distance) C4'-P energy: -131.266
bonds (distance) P-C4' energy: -138.269
flat angles C4'-P-C4' energy: -134.132
flat angles P-C4'-P energy: -89.110
tors. eta vs tors. theta energy: -155.590
Dist. restrs. and SS energy: 3.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -1918.607659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.607659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.725755 (E_RNA)
where:
Base-Base interactions energy: -1283.508
where: short stacking energy: -544.702
Base-Backbone interact. energy: 0.710
local terms energy: -637.928233
where:
bonds (distance) C4'-P energy: -130.385
bonds (distance) P-C4' energy: -131.697
flat angles C4'-P-C4' energy: -159.178
flat angles P-C4'-P energy: -84.283
tors. eta vs tors. theta energy: -132.386
Dist. restrs. and SS energy: 2.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -1820.837463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.837463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.740223 (E_RNA)
where:
Base-Base interactions energy: -1239.319
where: short stacking energy: -541.061
Base-Backbone interact. energy: -3.061
local terms energy: -582.360119
where:
bonds (distance) C4'-P energy: -114.381
bonds (distance) P-C4' energy: -118.073
flat angles C4'-P-C4' energy: -132.838
flat angles P-C4'-P energy: -79.556
tors. eta vs tors. theta energy: -137.512
Dist. restrs. and SS energy: 3.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -2833.567587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2833.567587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.139295 (E_RNA)
where:
Base-Base interactions energy: -1959.273
where: short stacking energy: -825.812
Base-Backbone interact. energy: 2.220
local terms energy: -878.085892
where:
bonds (distance) C4'-P energy: -153.214
bonds (distance) P-C4' energy: -157.834
flat angles C4'-P-C4' energy: -182.827
flat angles P-C4'-P energy: -142.204
tors. eta vs tors. theta energy: -242.006
Dist. restrs. and SS energy: 1.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -2725.394756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.394756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.952654 (E_RNA)
where:
Base-Base interactions energy: -1869.262
where: short stacking energy: -806.211
Base-Backbone interact. energy: -2.140
local terms energy: -855.551136
where:
bonds (distance) C4'-P energy: -168.373
bonds (distance) P-C4' energy: -165.873
flat angles C4'-P-C4' energy: -177.826
flat angles P-C4'-P energy: -112.943
tors. eta vs tors. theta energy: -230.536
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: 3, replica: 2
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -2559.013304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.013304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.442434 (E_RNA)
where:
Base-Base interactions energy: -1743.930
where: short stacking energy: -755.205
Base-Backbone interact. energy: 0.841
local terms energy: -817.353675
where:
bonds (distance) C4'-P energy: -159.496
bonds (distance) P-C4' energy: -156.286
flat angles C4'-P-C4' energy: -161.074
flat angles P-C4'-P energy: -120.817
tors. eta vs tors. theta energy: -219.681
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: 4, replica: 4
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -2386.501004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.501004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.350062 (E_RNA)
where:
Base-Base interactions energy: -1610.541
where: short stacking energy: -720.075
Base-Backbone interact. energy: -2.910
local terms energy: -774.899681
where:
bonds (distance) C4'-P energy: -156.306
bonds (distance) P-C4' energy: -148.904
flat angles C4'-P-C4' energy: -177.847
flat angles P-C4'-P energy: -93.042
tors. eta vs tors. theta energy: -198.801
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: 5, replica: 7
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -2292.576715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.576715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.218505 (E_RNA)
where:
Base-Base interactions energy: -1544.798
where: short stacking energy: -643.690
Base-Backbone interact. energy: -4.855
local terms energy: -744.565220
where:
bonds (distance) C4'-P energy: -138.746
bonds (distance) P-C4' energy: -159.313
flat angles C4'-P-C4' energy: -178.616
flat angles P-C4'-P energy: -89.323
tors. eta vs tors. theta energy: -178.567
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: 8
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -2157.044274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.044274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.721044 (E_RNA)
where:
Base-Base interactions energy: -1450.631
where: short stacking energy: -640.407
Base-Backbone interact. energy: 0.756
local terms energy: -709.845718
where:
bonds (distance) C4'-P energy: -133.783
bonds (distance) P-C4' energy: -154.108
flat angles C4'-P-C4' energy: -140.294
flat angles P-C4'-P energy: -104.378
tors. eta vs tors. theta energy: -177.283
Dist. restrs. and SS energy: 2.677 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -2135.038210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.038210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.493387 (E_RNA)
where:
Base-Base interactions energy: -1478.837
where: short stacking energy: -609.162
Base-Backbone interact. energy: 0.959
local terms energy: -659.615462
where:
bonds (distance) C4'-P energy: -133.276
bonds (distance) P-C4' energy: -140.564
flat angles C4'-P-C4' energy: -132.212
flat angles P-C4'-P energy: -86.049
tors. eta vs tors. theta energy: -167.513
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: 8, replica: 1
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -2068.815856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.815856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.567308 (E_RNA)
where:
Base-Base interactions energy: -1387.743
where: short stacking energy: -606.927
Base-Backbone interact. energy: -4.292
local terms energy: -679.532781
where:
bonds (distance) C4'-P energy: -135.790
bonds (distance) P-C4' energy: -107.552
flat angles C4'-P-C4' energy: -157.604
flat angles P-C4'-P energy: -108.423
tors. eta vs tors. theta energy: -170.163
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: 9, replica: 5
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -1911.629435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.629435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.388985 (E_RNA)
where:
Base-Base interactions energy: -1292.940
where: short stacking energy: -542.215
Base-Backbone interact. energy: 0.788
local terms energy: -623.236380
where:
bonds (distance) C4'-P energy: -121.120
bonds (distance) P-C4' energy: -145.616
flat angles C4'-P-C4' energy: -147.209
flat angles P-C4'-P energy: -73.379
tors. eta vs tors. theta energy: -135.912
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: 10, replica: 6
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -1823.735623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.735623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.834253 (E_RNA)
where:
Base-Base interactions energy: -1245.730
where: short stacking energy: -514.022
Base-Backbone interact. energy: 5.202
local terms energy: -591.306903
where:
bonds (distance) C4'-P energy: -116.428
bonds (distance) P-C4' energy: -142.097
flat angles C4'-P-C4' energy: -138.886
flat angles P-C4'-P energy: -81.643
tors. eta vs tors. theta energy: -112.254
Dist. restrs. and SS energy: 8.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -2803.452608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.452608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.180914 (E_RNA)
where:
Base-Base interactions energy: -1920.291
where: short stacking energy: -827.024
Base-Backbone interact. energy: -0.041
local terms energy: -885.848194
where:
bonds (distance) C4'-P energy: -153.217
bonds (distance) P-C4' energy: -162.561
flat angles C4'-P-C4' energy: -178.541
flat angles P-C4'-P energy: -143.667
tors. eta vs tors. theta energy: -247.863
Dist. restrs. and SS energy: 2.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -2751.343642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.343642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.845477 (E_RNA)
where:
Base-Base interactions energy: -1884.731
where: short stacking energy: -832.646
Base-Backbone interact. energy: -1.270
local terms energy: -867.844477
where:
bonds (distance) C4'-P energy: -148.272
bonds (distance) P-C4' energy: -163.683
flat angles C4'-P-C4' energy: -188.320
flat angles P-C4'-P energy: -113.666
tors. eta vs tors. theta energy: -253.904
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: 3, replica: 2
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -2589.816115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.816115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.825514 (E_RNA)
where:
Base-Base interactions energy: -1767.125
where: short stacking energy: -773.749
Base-Backbone interact. energy: 0.578
local terms energy: -824.279173
where:
bonds (distance) C4'-P energy: -143.217
bonds (distance) P-C4' energy: -155.865
flat angles C4'-P-C4' energy: -182.947
flat angles P-C4'-P energy: -117.957
tors. eta vs tors. theta energy: -224.293
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: 4, replica: 7
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -2356.321606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.321606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.527822 (E_RNA)
where:
Base-Base interactions energy: -1579.023
where: short stacking energy: -688.573
Base-Backbone interact. energy: -1.039
local terms energy: -778.466108
where:
bonds (distance) C4'-P energy: -141.988
bonds (distance) P-C4' energy: -147.927
flat angles C4'-P-C4' energy: -173.166
flat angles P-C4'-P energy: -118.569
tors. eta vs tors. theta energy: -196.815
Dist. restrs. and SS energy: 2.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -2302.230271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.230271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.540833 (E_RNA)
where:
Base-Base interactions energy: -1573.176
where: short stacking energy: -689.526
Base-Backbone interact. energy: -1.641
local terms energy: -729.723812
where:
bonds (distance) C4'-P energy: -149.144
bonds (distance) P-C4' energy: -133.045
flat angles C4'-P-C4' energy: -170.892
flat angles P-C4'-P energy: -94.221
tors. eta vs tors. theta energy: -182.421
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: 8
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -2201.911316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.911316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.393330 (E_RNA)
where:
Base-Base interactions energy: -1471.884
where: short stacking energy: -643.904
Base-Backbone interact. energy: -2.471
local terms energy: -730.038516
where:
bonds (distance) C4'-P energy: -148.371
bonds (distance) P-C4' energy: -157.523
flat angles C4'-P-C4' energy: -149.243
flat angles P-C4'-P energy: -83.895
tors. eta vs tors. theta energy: -191.007
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: 3
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -2085.048961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.048961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.793762 (E_RNA)
where:
Base-Base interactions energy: -1401.115
where: short stacking energy: -587.781
Base-Backbone interact. energy: -0.561
local terms energy: -686.117728
where:
bonds (distance) C4'-P energy: -145.926
bonds (distance) P-C4' energy: -149.224
flat angles C4'-P-C4' energy: -143.334
flat angles P-C4'-P energy: -85.332
tors. eta vs tors. theta energy: -162.302
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: 8, replica: 1
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -2050.385593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.385593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.941216 (E_RNA)
where:
Base-Base interactions energy: -1393.970
where: short stacking energy: -605.387
Base-Backbone interact. energy: 3.758
local terms energy: -662.729274
where:
bonds (distance) C4'-P energy: -122.503
bonds (distance) P-C4' energy: -142.395
flat angles C4'-P-C4' energy: -151.220
flat angles P-C4'-P energy: -81.016
tors. eta vs tors. theta energy: -165.595
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: 5
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -1930.180937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.180937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.041942 (E_RNA)
where:
Base-Base interactions energy: -1293.682
where: short stacking energy: -555.954
Base-Backbone interact. energy: 0.026
local terms energy: -639.385857
where:
bonds (distance) C4'-P energy: -144.746
bonds (distance) P-C4' energy: -125.480
flat angles C4'-P-C4' energy: -131.002
flat angles P-C4'-P energy: -92.324
tors. eta vs tors. theta energy: -145.833
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: 10, replica: 6
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -1802.207936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.207936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.210128 (E_RNA)
where:
Base-Base interactions energy: -1229.806
where: short stacking energy: -519.081
Base-Backbone interact. energy: -3.138
local terms energy: -574.266396
where:
bonds (distance) C4'-P energy: -118.336
bonds (distance) P-C4' energy: -138.507
flat angles C4'-P-C4' energy: -135.938
flat angles P-C4'-P energy: -82.470
tors. eta vs tors. theta energy: -99.016
Dist. restrs. and SS energy: 5.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -2813.144810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.144810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.491073 (E_RNA)
where:
Base-Base interactions energy: -1924.562
where: short stacking energy: -819.494
Base-Backbone interact. energy: 3.094
local terms energy: -894.022269
where:
bonds (distance) C4'-P energy: -152.626
bonds (distance) P-C4' energy: -172.060
flat angles C4'-P-C4' energy: -193.979
flat angles P-C4'-P energy: -128.533
tors. eta vs tors. theta energy: -246.825
Dist. restrs. and SS energy: 2.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -2721.486270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.486270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.002614 (E_RNA)
where:
Base-Base interactions energy: -1884.190
where: short stacking energy: -804.318
Base-Backbone interact. energy: -0.783
local terms energy: -839.029690
where:
bonds (distance) C4'-P energy: -155.590
bonds (distance) P-C4' energy: -158.915
flat angles C4'-P-C4' energy: -171.103
flat angles P-C4'-P energy: -122.323
tors. eta vs tors. theta energy: -231.099
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: 3, replica: 2
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -2584.183616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.183616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.867559 (E_RNA)
where:
Base-Base interactions energy: -1752.925
where: short stacking energy: -778.214
Base-Backbone interact. energy: -1.950
local terms energy: -831.992744
where:
bonds (distance) C4'-P energy: -153.917
bonds (distance) P-C4' energy: -159.912
flat angles C4'-P-C4' energy: -177.968
flat angles P-C4'-P energy: -115.287
tors. eta vs tors. theta energy: -224.909
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: 4, replica: 7
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -2370.751822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.751822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.115511 (E_RNA)
where:
Base-Base interactions energy: -1599.087
where: short stacking energy: -705.031
Base-Backbone interact. energy: -3.683
local terms energy: -770.345972
where:
bonds (distance) C4'-P energy: -144.990
bonds (distance) P-C4' energy: -149.878
flat angles C4'-P-C4' energy: -169.084
flat angles P-C4'-P energy: -114.462
tors. eta vs tors. theta energy: -191.932
Dist. restrs. and SS energy: 2.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -2284.790388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.790388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.905348 (E_RNA)
where:
Base-Base interactions energy: -1551.921
where: short stacking energy: -663.674
Base-Backbone interact. energy: -1.199
local terms energy: -732.785172
where:
bonds (distance) C4'-P energy: -131.796
bonds (distance) P-C4' energy: -145.095
flat angles C4'-P-C4' energy: -175.723
flat angles P-C4'-P energy: -112.896
tors. eta vs tors. theta energy: -167.275
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: 6, replica: 8
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -2162.263269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.263269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.202708 (E_RNA)
where:
Base-Base interactions energy: -1463.849
where: short stacking energy: -642.990
Base-Backbone interact. energy: -3.003
local terms energy: -699.351454
where:
bonds (distance) C4'-P energy: -124.191
bonds (distance) P-C4' energy: -145.344
flat angles C4'-P-C4' energy: -163.919
flat angles P-C4'-P energy: -94.316
tors. eta vs tors. theta energy: -171.581
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: 3
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -2110.641973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.641973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.244805 (E_RNA)
where:
Base-Base interactions energy: -1437.603
where: short stacking energy: -606.072
Base-Backbone interact. energy: -4.226
local terms energy: -670.415194
where:
bonds (distance) C4'-P energy: -141.724
bonds (distance) P-C4' energy: -147.250
flat angles C4'-P-C4' energy: -124.213
flat angles P-C4'-P energy: -102.102
tors. eta vs tors. theta energy: -155.127
Dist. restrs. and SS energy: 1.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -2066.853843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.853843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.314811 (E_RNA)
where:
Base-Base interactions energy: -1404.223
where: short stacking energy: -592.829
Base-Backbone interact. energy: 0.573
local terms energy: -670.664231
where:
bonds (distance) C4'-P energy: -143.605
bonds (distance) P-C4' energy: -129.468
flat angles C4'-P-C4' energy: -151.620
flat angles P-C4'-P energy: -95.754
tors. eta vs tors. theta energy: -150.217
Dist. restrs. and SS energy: 7.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -1896.294735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.294735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.834576 (E_RNA)
where:
Base-Base interactions energy: -1287.765
where: short stacking energy: -520.785
Base-Backbone interact. energy: -0.322
local terms energy: -612.747535
where:
bonds (distance) C4'-P energy: -125.369
bonds (distance) P-C4' energy: -132.514
flat angles C4'-P-C4' energy: -133.900
flat angles P-C4'-P energy: -96.063
tors. eta vs tors. theta energy: -124.902
Dist. restrs. and SS energy: 4.540 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -1825.237406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.237406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.494669 (E_RNA)
where:
Base-Base interactions energy: -1278.822
where: short stacking energy: -545.424
Base-Backbone interact. energy: 1.271
local terms energy: -551.944409
where:
bonds (distance) C4'-P energy: -114.690
bonds (distance) P-C4' energy: -90.583
flat angles C4'-P-C4' energy: -137.154
flat angles P-C4'-P energy: -82.132
tors. eta vs tors. theta energy: -127.385
Dist. restrs. and SS energy: 4.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -2814.277245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.277245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.161678 (E_RNA)
where:
Base-Base interactions energy: -1927.959
where: short stacking energy: -843.305
Base-Backbone interact. energy: -1.971
local terms energy: -887.231343
where:
bonds (distance) C4'-P energy: -145.127
bonds (distance) P-C4' energy: -168.141
flat angles C4'-P-C4' energy: -189.570
flat angles P-C4'-P energy: -138.290
tors. eta vs tors. theta energy: -246.104
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: 2, replica: 10
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -2716.537036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.537036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.042453 (E_RNA)
where:
Base-Base interactions energy: -1838.937
where: short stacking energy: -778.298
Base-Backbone interact. energy: 1.653
local terms energy: -880.758357
where:
bonds (distance) C4'-P energy: -169.447
bonds (distance) P-C4' energy: -152.563
flat angles C4'-P-C4' energy: -188.665
flat angles P-C4'-P energy: -131.642
tors. eta vs tors. theta energy: -238.441
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: 3, replica: 2
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -2598.276293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.276293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.478939 (E_RNA)
where:
Base-Base interactions energy: -1771.548
where: short stacking energy: -773.804
Base-Backbone interact. energy: 2.684
local terms energy: -830.614739
where:
bonds (distance) C4'-P energy: -152.722
bonds (distance) P-C4' energy: -160.711
flat angles C4'-P-C4' energy: -171.827
flat angles P-C4'-P energy: -113.292
tors. eta vs tors. theta energy: -232.062
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: 4, replica: 7
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -2326.764327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.764327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.013283 (E_RNA)
where:
Base-Base interactions energy: -1566.498
where: short stacking energy: -696.366
Base-Backbone interact. energy: 1.770
local terms energy: -763.285716
where:
bonds (distance) C4'-P energy: -135.040
bonds (distance) P-C4' energy: -142.895
flat angles C4'-P-C4' energy: -174.411
flat angles P-C4'-P energy: -106.837
tors. eta vs tors. theta energy: -204.103
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: 5, replica: 4
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -2258.746514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.746514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.301139 (E_RNA)
where:
Base-Base interactions energy: -1516.240
where: short stacking energy: -654.724
Base-Backbone interact. energy: -1.696
local terms energy: -744.364989
where:
bonds (distance) C4'-P energy: -149.809
bonds (distance) P-C4' energy: -154.837
flat angles C4'-P-C4' energy: -153.142
flat angles P-C4'-P energy: -106.635
tors. eta vs tors. theta energy: -179.943
Dist. restrs. and SS energy: 3.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -2174.002636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.002636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.822014 (E_RNA)
where:
Base-Base interactions energy: -1459.536
where: short stacking energy: -614.218
Base-Backbone interact. energy: -4.065
local terms energy: -711.220690
where:
bonds (distance) C4'-P energy: -132.060
bonds (distance) P-C4' energy: -146.248
flat angles C4'-P-C4' energy: -157.331
flat angles P-C4'-P energy: -99.613
tors. eta vs tors. theta energy: -175.969
Dist. restrs. and SS energy: 0.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -2071.937842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.937842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.085273 (E_RNA)
where:
Base-Base interactions energy: -1424.353
where: short stacking energy: -598.388
Base-Backbone interact. energy: -0.612
local terms energy: -649.120164
where:
bonds (distance) C4'-P energy: -134.295
bonds (distance) P-C4' energy: -130.369
flat angles C4'-P-C4' energy: -137.526
flat angles P-C4'-P energy: -96.836
tors. eta vs tors. theta energy: -150.094
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: 8, replica: 1
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -2049.731878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.731878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.240517 (E_RNA)
where:
Base-Base interactions energy: -1383.539
where: short stacking energy: -579.682
Base-Backbone interact. energy: -1.536
local terms energy: -668.164591
where:
bonds (distance) C4'-P energy: -124.819
bonds (distance) P-C4' energy: -142.850
flat angles C4'-P-C4' energy: -156.018
flat angles P-C4'-P energy: -99.568
tors. eta vs tors. theta energy: -144.909
Dist. restrs. and SS energy: 3.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -1914.914995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.914995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.560766 (E_RNA)
where:
Base-Base interactions energy: -1309.974
where: short stacking energy: -541.280
Base-Backbone interact. energy: 0.463
local terms energy: -612.049813
where:
bonds (distance) C4'-P energy: -126.873
bonds (distance) P-C4' energy: -120.829
flat angles C4'-P-C4' energy: -156.691
flat angles P-C4'-P energy: -94.477
tors. eta vs tors. theta energy: -113.181
Dist. restrs. and SS energy: 6.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -1839.573559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.573559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.089722 (E_RNA)
where:
Base-Base interactions energy: -1242.272
where: short stacking energy: -517.135
Base-Backbone interact. energy: -1.501
local terms energy: -599.316180
where:
bonds (distance) C4'-P energy: -127.124
bonds (distance) P-C4' energy: -133.596
flat angles C4'-P-C4' energy: -139.356
flat angles P-C4'-P energy: -80.626
tors. eta vs tors. theta energy: -118.615
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: 1, replica: 9
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -2801.719152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.719152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.543118 (E_RNA)
where:
Base-Base interactions energy: -1902.912
where: short stacking energy: -815.302
Base-Backbone interact. energy: 5.342
local terms energy: -906.972855
where:
bonds (distance) C4'-P energy: -170.305
bonds (distance) P-C4' energy: -172.426
flat angles C4'-P-C4' energy: -191.572
flat angles P-C4'-P energy: -125.155
tors. eta vs tors. theta energy: -247.515
Dist. restrs. and SS energy: 2.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -2723.206321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.206321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.589881 (E_RNA)
where:
Base-Base interactions energy: -1856.603
where: short stacking energy: -800.941
Base-Backbone interact. energy: -1.186
local terms energy: -867.801396
where:
bonds (distance) C4'-P energy: -159.828
bonds (distance) P-C4' energy: -152.747
flat angles C4'-P-C4' energy: -180.814
flat angles P-C4'-P energy: -123.604
tors. eta vs tors. theta energy: -250.808
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: 3, replica: 2
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -2573.655161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.655161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.434454 (E_RNA)
where:
Base-Base interactions energy: -1741.590
where: short stacking energy: -755.924
Base-Backbone interact. energy: -1.059
local terms energy: -832.785638
where:
bonds (distance) C4'-P energy: -157.259
bonds (distance) P-C4' energy: -165.981
flat angles C4'-P-C4' energy: -169.555
flat angles P-C4'-P energy: -119.610
tors. eta vs tors. theta energy: -220.380
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: 4, replica: 7
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -2359.483378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.483378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.990923 (E_RNA)
where:
Base-Base interactions energy: -1589.967
where: short stacking energy: -744.565
Base-Backbone interact. energy: -1.994
local terms energy: -770.029504
where:
bonds (distance) C4'-P energy: -151.271
bonds (distance) P-C4' energy: -147.909
flat angles C4'-P-C4' energy: -166.870
flat angles P-C4'-P energy: -97.743
tors. eta vs tors. theta energy: -206.237
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: 5, replica: 4
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -2372.205333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.205333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.508878 (E_RNA)
where:
Base-Base interactions energy: -1609.068
where: short stacking energy: -684.537
Base-Backbone interact. energy: -1.413
local terms energy: -763.027556
where:
bonds (distance) C4'-P energy: -135.119
bonds (distance) P-C4' energy: -142.375
flat angles C4'-P-C4' energy: -171.580
flat angles P-C4'-P energy: -117.757
tors. eta vs tors. theta energy: -196.197
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: 6, replica: 8
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -2197.603382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.603382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.194882 (E_RNA)
where:
Base-Base interactions energy: -1484.989
where: short stacking energy: -632.392
Base-Backbone interact. energy: -2.217
local terms energy: -713.988773
where:
bonds (distance) C4'-P energy: -130.934
bonds (distance) P-C4' energy: -136.275
flat angles C4'-P-C4' energy: -164.917
flat angles P-C4'-P energy: -108.954
tors. eta vs tors. theta energy: -172.909
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: 7, replica: 3
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -2118.652940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.652940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.181424 (E_RNA)
where:
Base-Base interactions energy: -1415.614
where: short stacking energy: -577.501
Base-Backbone interact. energy: -1.013
local terms energy: -703.554107
where:
bonds (distance) C4'-P energy: -161.623
bonds (distance) P-C4' energy: -139.780
flat angles C4'-P-C4' energy: -155.419
flat angles P-C4'-P energy: -91.997
tors. eta vs tors. theta energy: -154.735
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: 8, replica: 1
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -2038.945984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.945984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.539910 (E_RNA)
where:
Base-Base interactions energy: -1391.076
where: short stacking energy: -547.145
Base-Backbone interact. energy: 2.747
local terms energy: -653.210723
where:
bonds (distance) C4'-P energy: -134.037
bonds (distance) P-C4' energy: -140.070
flat angles C4'-P-C4' energy: -157.890
flat angles P-C4'-P energy: -82.067
tors. eta vs tors. theta energy: -139.147
Dist. restrs. and SS energy: 2.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -1886.202266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.202266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.017914 (E_RNA)
where:
Base-Base interactions energy: -1264.264
where: short stacking energy: -533.064
Base-Backbone interact. energy: -1.813
local terms energy: -627.941303
where:
bonds (distance) C4'-P energy: -122.519
bonds (distance) P-C4' energy: -132.238
flat angles C4'-P-C4' energy: -139.809
flat angles P-C4'-P energy: -99.541
tors. eta vs tors. theta energy: -133.835
Dist. restrs. and SS energy: 7.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -1832.761441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.761441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.588450 (E_RNA)
where:
Base-Base interactions energy: -1242.792
where: short stacking energy: -528.351
Base-Backbone interact. energy: -1.588
local terms energy: -593.207619
where:
bonds (distance) C4'-P energy: -118.764
bonds (distance) P-C4' energy: -106.705
flat angles C4'-P-C4' energy: -129.013
flat angles P-C4'-P energy: -102.493
tors. eta vs tors. theta energy: -136.233
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: 183
Temperature: 0.900000
Total energy: -2806.464328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.464328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.499138 (E_RNA)
where:
Base-Base interactions energy: -1954.640
where: short stacking energy: -830.152
Base-Backbone interact. energy: 4.938
local terms energy: -858.797547
where:
bonds (distance) C4'-P energy: -152.996
bonds (distance) P-C4' energy: -157.178
flat angles C4'-P-C4' energy: -186.601
flat angles P-C4'-P energy: -115.181
tors. eta vs tors. theta energy: -246.842
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: 2, replica: 10
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -2719.794762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.794762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.413164 (E_RNA)
where:
Base-Base interactions energy: -1862.182
where: short stacking energy: -812.762
Base-Backbone interact. energy: 1.217
local terms energy: -860.448664
where:
bonds (distance) C4'-P energy: -150.074
bonds (distance) P-C4' energy: -167.587
flat angles C4'-P-C4' energy: -177.618
flat angles P-C4'-P energy: -128.959
tors. eta vs tors. theta energy: -236.210
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: 3, replica: 2
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -2579.457938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.457938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.919496 (E_RNA)
where:
Base-Base interactions energy: -1767.247
where: short stacking energy: -772.142
Base-Backbone interact. energy: 3.392
local terms energy: -818.064516
where:
bonds (distance) C4'-P energy: -134.540
bonds (distance) P-C4' energy: -162.105
flat angles C4'-P-C4' energy: -176.700
flat angles P-C4'-P energy: -118.976
tors. eta vs tors. theta energy: -225.742
Dist. restrs. and SS energy: 2.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -2464.915624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.915624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.046374 (E_RNA)
where:
Base-Base interactions energy: -1686.813
where: short stacking energy: -714.614
Base-Backbone interact. energy: -0.767
local terms energy: -778.466700
where:
bonds (distance) C4'-P energy: -154.083
bonds (distance) P-C4' energy: -140.485
flat angles C4'-P-C4' energy: -170.376
flat angles P-C4'-P energy: -97.349
tors. eta vs tors. theta energy: -216.174
Dist. restrs. and SS energy: 1.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -2304.356150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.356150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.507465 (E_RNA)
where:
Base-Base interactions energy: -1571.321
where: short stacking energy: -683.637
Base-Backbone interact. energy: -2.900
local terms energy: -733.286134
where:
bonds (distance) C4'-P energy: -123.575
bonds (distance) P-C4' energy: -150.752
flat angles C4'-P-C4' energy: -164.299
flat angles P-C4'-P energy: -108.642
tors. eta vs tors. theta energy: -186.018
Dist. restrs. and SS energy: 3.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -2163.843256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.843256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.366421 (E_RNA)
where:
Base-Base interactions energy: -1473.444
where: short stacking energy: -633.473
Base-Backbone interact. energy: 0.071
local terms energy: -692.992692
where:
bonds (distance) C4'-P energy: -144.110
bonds (distance) P-C4' energy: -120.376
flat angles C4'-P-C4' energy: -156.956
flat angles P-C4'-P energy: -104.325
tors. eta vs tors. theta energy: -167.226
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: 7, replica: 3
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -2126.205204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.205204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.451910 (E_RNA)
where:
Base-Base interactions energy: -1440.962
where: short stacking energy: -616.449
Base-Backbone interact. energy: 0.328
local terms energy: -687.817730
where:
bonds (distance) C4'-P energy: -139.409
bonds (distance) P-C4' energy: -136.555
flat angles C4'-P-C4' energy: -146.491
flat angles P-C4'-P energy: -111.966
tors. eta vs tors. theta energy: -153.398
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: 8, replica: 1
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -2111.152021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.152021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.876498 (E_RNA)
where:
Base-Base interactions energy: -1434.399
where: short stacking energy: -603.395
Base-Backbone interact. energy: 0.017
local terms energy: -679.494710
where:
bonds (distance) C4'-P energy: -119.352
bonds (distance) P-C4' energy: -143.629
flat angles C4'-P-C4' energy: -150.969
flat angles P-C4'-P energy: -98.190
tors. eta vs tors. theta energy: -167.355
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: 5
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -1904.691508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.691508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.071314 (E_RNA)
where:
Base-Base interactions energy: -1282.009
where: short stacking energy: -531.348
Base-Backbone interact. energy: -3.169
local terms energy: -624.892567
where:
bonds (distance) C4'-P energy: -117.134
bonds (distance) P-C4' energy: -143.655
flat angles C4'-P-C4' energy: -133.524
flat angles P-C4'-P energy: -87.018
tors. eta vs tors. theta energy: -143.563
Dist. restrs. and SS energy: 5.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -1843.785129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.785129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.004756 (E_RNA)
where:
Base-Base interactions energy: -1260.224
where: short stacking energy: -509.813
Base-Backbone interact. energy: -1.091
local terms energy: -584.688965
where:
bonds (distance) C4'-P energy: -128.405
bonds (distance) P-C4' energy: -127.852
flat angles C4'-P-C4' energy: -134.487
flat angles P-C4'-P energy: -71.257
tors. eta vs tors. theta energy: -122.687
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: 1, replica: 9
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -2827.006972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.006972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.917731 (E_RNA)
where:
Base-Base interactions energy: -1926.440
where: short stacking energy: -857.919
Base-Backbone interact. energy: 2.180
local terms energy: -905.658171
where:
bonds (distance) C4'-P energy: -158.952
bonds (distance) P-C4' energy: -173.333
flat angles C4'-P-C4' energy: -184.796
flat angles P-C4'-P energy: -135.943
tors. eta vs tors. theta energy: -252.635
Dist. restrs. and SS energy: 2.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -2711.524754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.524754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.988489 (E_RNA)
where:
Base-Base interactions energy: -1836.566
where: short stacking energy: -803.457
Base-Backbone interact. energy: -0.114
local terms energy: -876.308334
where:
bonds (distance) C4'-P energy: -152.288
bonds (distance) P-C4' energy: -157.223
flat angles C4'-P-C4' energy: -198.937
flat angles P-C4'-P energy: -135.573
tors. eta vs tors. theta energy: -232.288
Dist. restrs. and SS energy: 1.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -2542.514497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.514497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.164699 (E_RNA)
where:
Base-Base interactions energy: -1740.125
where: short stacking energy: -753.464
Base-Backbone interact. energy: -0.391
local terms energy: -803.648819
where:
bonds (distance) C4'-P energy: -143.381
bonds (distance) P-C4' energy: -156.562
flat angles C4'-P-C4' energy: -178.510
flat angles P-C4'-P energy: -111.890
tors. eta vs tors. theta energy: -213.306
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: 4, replica: 4
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -2498.919874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.919874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.787000 (E_RNA)
where:
Base-Base interactions energy: -1703.172
where: short stacking energy: -772.313
Base-Backbone interact. energy: -2.506
local terms energy: -795.108991
where:
bonds (distance) C4'-P energy: -126.598
bonds (distance) P-C4' energy: -149.436
flat angles C4'-P-C4' energy: -178.151
flat angles P-C4'-P energy: -122.387
tors. eta vs tors. theta energy: -218.537
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: 5, replica: 8
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -2251.679985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.679985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.986799 (E_RNA)
where:
Base-Base interactions energy: -1489.830
where: short stacking energy: -664.288
Base-Backbone interact. energy: -1.008
local terms energy: -763.148875
where:
bonds (distance) C4'-P energy: -156.327
bonds (distance) P-C4' energy: -145.222
flat angles C4'-P-C4' energy: -157.955
flat angles P-C4'-P energy: -112.707
tors. eta vs tors. theta energy: -190.938
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: 6, replica: 7
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -2290.886034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.886034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.320966 (E_RNA)
where:
Base-Base interactions energy: -1573.516
where: short stacking energy: -649.122
Base-Backbone interact. energy: -1.920
local terms energy: -717.884964
where:
bonds (distance) C4'-P energy: -130.357
bonds (distance) P-C4' energy: -148.703
flat angles C4'-P-C4' energy: -156.043
flat angles P-C4'-P energy: -99.961
tors. eta vs tors. theta energy: -182.821
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: 3
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -2121.963006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.963006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.581517 (E_RNA)
where:
Base-Base interactions energy: -1425.411
where: short stacking energy: -604.875
Base-Backbone interact. energy: -2.945
local terms energy: -696.225656
where:
bonds (distance) C4'-P energy: -124.597
bonds (distance) P-C4' energy: -149.813
flat angles C4'-P-C4' energy: -156.417
flat angles P-C4'-P energy: -97.783
tors. eta vs tors. theta energy: -167.616
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: 1
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -2079.772238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.772238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.520020 (E_RNA)
where:
Base-Base interactions energy: -1389.011
where: short stacking energy: -575.480
Base-Backbone interact. energy: -0.534
local terms energy: -692.974702
where:
bonds (distance) C4'-P energy: -146.148
bonds (distance) P-C4' energy: -141.213
flat angles C4'-P-C4' energy: -159.865
flat angles P-C4'-P energy: -99.247
tors. eta vs tors. theta energy: -146.502
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: 5
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -1915.073200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.073200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.439619 (E_RNA)
where:
Base-Base interactions energy: -1305.265
where: short stacking energy: -532.373
Base-Backbone interact. energy: -3.997
local terms energy: -608.178469
where:
bonds (distance) C4'-P energy: -120.202
bonds (distance) P-C4' energy: -130.340
flat angles C4'-P-C4' energy: -152.336
flat angles P-C4'-P energy: -85.036
tors. eta vs tors. theta energy: -120.264
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: 10, replica: 6
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -1864.495521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.495521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.318203 (E_RNA)
where:
Base-Base interactions energy: -1277.338
where: short stacking energy: -533.107
Base-Backbone interact. energy: -0.542
local terms energy: -594.438439
where:
bonds (distance) C4'-P energy: -118.500
bonds (distance) P-C4' energy: -129.304
flat angles C4'-P-C4' energy: -147.286
flat angles P-C4'-P energy: -72.174
tors. eta vs tors. theta energy: -127.174
Dist. restrs. and SS energy: 7.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -2832.039761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.039761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2833.242629 (E_RNA)
where:
Base-Base interactions energy: -1952.485
where: short stacking energy: -852.568
Base-Backbone interact. energy: 4.615
local terms energy: -885.372941
where:
bonds (distance) C4'-P energy: -153.375
bonds (distance) P-C4' energy: -164.895
flat angles C4'-P-C4' energy: -195.382
flat angles P-C4'-P energy: -122.163
tors. eta vs tors. theta energy: -249.558
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: 10
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -2715.109098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.109098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.200184 (E_RNA)
where:
Base-Base interactions energy: -1850.676
where: short stacking energy: -805.513
Base-Backbone interact. energy: -0.339
local terms energy: -866.185411
where:
bonds (distance) C4'-P energy: -161.602
bonds (distance) P-C4' energy: -170.835
flat angles C4'-P-C4' energy: -177.817
flat angles P-C4'-P energy: -113.788
tors. eta vs tors. theta energy: -242.142
Dist. restrs. and SS energy: 2.091 (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: 2
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -2627.337915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.337915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.186412 (E_RNA)
where:
Base-Base interactions energy: -1750.980
where: short stacking energy: -767.004
Base-Backbone interact. energy: -1.996
local terms energy: -875.210624
where:
bonds (distance) C4'-P energy: -170.052
bonds (distance) P-C4' energy: -170.436
flat angles C4'-P-C4' energy: -182.591
flat angles P-C4'-P energy: -122.258
tors. eta vs tors. theta energy: -229.873
Dist. restrs. and SS energy: 0.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -2518.718724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.718724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.826725 (E_RNA)
where:
Base-Base interactions energy: -1718.797
where: short stacking energy: -756.151
Base-Backbone interact. energy: 0.951
local terms energy: -801.980990
where:
bonds (distance) C4'-P energy: -150.184
bonds (distance) P-C4' energy: -147.378
flat angles C4'-P-C4' energy: -165.549
flat angles P-C4'-P energy: -99.849
tors. eta vs tors. theta energy: -239.022
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: 5, replica: 8
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -2254.051844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.051844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.551726 (E_RNA)
where:
Base-Base interactions energy: -1522.624
where: short stacking energy: -666.098
Base-Backbone interact. energy: -2.894
local terms energy: -730.033637
where:
bonds (distance) C4'-P energy: -145.971
bonds (distance) P-C4' energy: -147.268
flat angles C4'-P-C4' energy: -162.551
flat angles P-C4'-P energy: -105.197
tors. eta vs tors. theta energy: -169.046
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: 6, replica: 7
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -2240.061180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.061180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.621987 (E_RNA)
where:
Base-Base interactions energy: -1518.331
where: short stacking energy: -601.830
Base-Backbone interact. energy: -2.797
local terms energy: -720.494408
where:
bonds (distance) C4'-P energy: -157.175
bonds (distance) P-C4' energy: -139.028
flat angles C4'-P-C4' energy: -157.489
flat angles P-C4'-P energy: -97.838
tors. eta vs tors. theta energy: -168.965
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: 7, replica: 3
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -2069.620939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.620939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.667943 (E_RNA)
where:
Base-Base interactions energy: -1411.572
where: short stacking energy: -599.191
Base-Backbone interact. energy: -0.436
local terms energy: -660.659220
where:
bonds (distance) C4'-P energy: -132.563
bonds (distance) P-C4' energy: -131.420
flat angles C4'-P-C4' energy: -145.867
flat angles P-C4'-P energy: -104.262
tors. eta vs tors. theta energy: -146.546
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: 1
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -2021.836169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.836169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.416020 (E_RNA)
where:
Base-Base interactions energy: -1378.486
where: short stacking energy: -575.948
Base-Backbone interact. energy: 8.987
local terms energy: -654.916968
where:
bonds (distance) C4'-P energy: -139.314
bonds (distance) P-C4' energy: -123.680
flat angles C4'-P-C4' energy: -141.842
flat angles P-C4'-P energy: -93.112
tors. eta vs tors. theta energy: -156.970
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: 9, replica: 5
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -1933.929133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.929133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.851572 (E_RNA)
where:
Base-Base interactions energy: -1342.676
where: short stacking energy: -557.798
Base-Backbone interact. energy: -2.838
local terms energy: -590.337135
where:
bonds (distance) C4'-P energy: -117.556
bonds (distance) P-C4' energy: -112.109
flat angles C4'-P-C4' energy: -147.305
flat angles P-C4'-P energy: -85.288
tors. eta vs tors. theta energy: -128.080
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: 10, replica: 6
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -1875.279543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.279543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.300142 (E_RNA)
where:
Base-Base interactions energy: -1279.075
where: short stacking energy: -556.916
Base-Backbone interact. energy: -0.808
local terms energy: -600.416814
where:
bonds (distance) C4'-P energy: -143.533
bonds (distance) P-C4' energy: -115.598
flat angles C4'-P-C4' energy: -131.781
flat angles P-C4'-P energy: -73.540
tors. eta vs tors. theta energy: -135.965
Dist. restrs. and SS energy: 5.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -2806.608205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.608205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.179240 (E_RNA)
where:
Base-Base interactions energy: -1947.845
where: short stacking energy: -843.278
Base-Backbone interact. energy: 3.471
local terms energy: -863.805021
where:
bonds (distance) C4'-P energy: -149.376
bonds (distance) P-C4' energy: -170.456
flat angles C4'-P-C4' energy: -181.265
flat angles P-C4'-P energy: -121.491
tors. eta vs tors. theta energy: -241.217
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: 10
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -2703.674995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.674995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.030756 (E_RNA)
where:
Base-Base interactions energy: -1868.623
where: short stacking energy: -798.671
Base-Backbone interact. energy: -4.450
local terms energy: -831.957090
where:
bonds (distance) C4'-P energy: -140.199
bonds (distance) P-C4' energy: -158.970
flat angles C4'-P-C4' energy: -178.234
flat angles P-C4'-P energy: -108.065
tors. eta vs tors. theta energy: -246.489
Dist. restrs. and SS energy: 1.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -2614.546327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.546327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.081632 (E_RNA)
where:
Base-Base interactions energy: -1799.560
where: short stacking energy: -764.405
Base-Backbone interact. energy: -0.514
local terms energy: -815.007909
where:
bonds (distance) C4'-P energy: -140.288
bonds (distance) P-C4' energy: -139.315
flat angles C4'-P-C4' energy: -187.940
flat angles P-C4'-P energy: -119.962
tors. eta vs tors. theta energy: -227.503
Dist. restrs. and SS energy: 0.535 (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: 186
Temperature: 1.050000
Total energy: -2459.463556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.463556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.251440 (E_RNA)
where:
Base-Base interactions energy: -1676.335
where: short stacking energy: -698.808
Base-Backbone interact. energy: -3.917
local terms energy: -780.999444
where:
bonds (distance) C4'-P energy: -155.533
bonds (distance) P-C4' energy: -159.381
flat angles C4'-P-C4' energy: -167.076
flat angles P-C4'-P energy: -105.548
tors. eta vs tors. theta energy: -193.461
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: 5, replica: 8
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -2283.483379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.483379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.212931 (E_RNA)
where:
Base-Base interactions energy: -1526.258
where: short stacking energy: -676.684
Base-Backbone interact. energy: -3.154
local terms energy: -757.800975
where:
bonds (distance) C4'-P energy: -158.956
bonds (distance) P-C4' energy: -156.220
flat angles C4'-P-C4' energy: -164.182
flat angles P-C4'-P energy: -91.027
tors. eta vs tors. theta energy: -187.416
Dist. restrs. and SS energy: 3.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -2175.986444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.986444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.618251 (E_RNA)
where:
Base-Base interactions energy: -1469.990
where: short stacking energy: -639.487
Base-Backbone interact. energy: 1.632
local terms energy: -709.259989
where:
bonds (distance) C4'-P energy: -135.819
bonds (distance) P-C4' energy: -151.036
flat angles C4'-P-C4' energy: -154.120
flat angles P-C4'-P energy: -96.997
tors. eta vs tors. theta energy: -171.288
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: 7, replica: 1
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -2121.953996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.953996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.221760 (E_RNA)
where:
Base-Base interactions energy: -1423.927
where: short stacking energy: -608.466
Base-Backbone interact. energy: -1.670
local terms energy: -698.625148
where:
bonds (distance) C4'-P energy: -130.059
bonds (distance) P-C4' energy: -156.239
flat angles C4'-P-C4' energy: -158.418
flat angles P-C4'-P energy: -99.808
tors. eta vs tors. theta energy: -154.101
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: 8, replica: 3
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -2046.022540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.022540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.482822 (E_RNA)
where:
Base-Base interactions energy: -1368.793
where: short stacking energy: -568.347
Base-Backbone interact. energy: -1.477
local terms energy: -678.212356
where:
bonds (distance) C4'-P energy: -139.332
bonds (distance) P-C4' energy: -140.335
flat angles C4'-P-C4' energy: -142.150
flat angles P-C4'-P energy: -95.230
tors. eta vs tors. theta energy: -161.166
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: 9, replica: 5
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -1887.941647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.941647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.048596 (E_RNA)
where:
Base-Base interactions energy: -1275.005
where: short stacking energy: -509.065
Base-Backbone interact. energy: 8.830
local terms energy: -626.874016
where:
bonds (distance) C4'-P energy: -127.707
bonds (distance) P-C4' energy: -151.876
flat angles C4'-P-C4' energy: -127.784
flat angles P-C4'-P energy: -85.665
tors. eta vs tors. theta energy: -133.842
Dist. restrs. and SS energy: 5.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -1866.001961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.001961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.354400 (E_RNA)
where:
Base-Base interactions energy: -1254.282
where: short stacking energy: -551.594
Base-Backbone interact. energy: -0.592
local terms energy: -613.480067
where:
bonds (distance) C4'-P energy: -131.759
bonds (distance) P-C4' energy: -118.462
flat angles C4'-P-C4' energy: -141.718
flat angles P-C4'-P energy: -87.445
tors. eta vs tors. theta energy: -134.095
Dist. restrs. and SS energy: 2.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -2783.469026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.469026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.951715 (E_RNA)
where:
Base-Base interactions energy: -1919.315
where: short stacking energy: -806.921
Base-Backbone interact. energy: 8.966
local terms energy: -874.603084
where:
bonds (distance) C4'-P energy: -156.126
bonds (distance) P-C4' energy: -165.044
flat angles C4'-P-C4' energy: -192.709
flat angles P-C4'-P energy: -123.702
tors. eta vs tors. theta energy: -237.023
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: 10
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -2751.640717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.640717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.719550 (E_RNA)
where:
Base-Base interactions energy: -1881.061
where: short stacking energy: -812.586
Base-Backbone interact. energy: -0.520
local terms energy: -872.139216
where:
bonds (distance) C4'-P energy: -163.656
bonds (distance) P-C4' energy: -158.316
flat angles C4'-P-C4' energy: -172.928
flat angles P-C4'-P energy: -136.277
tors. eta vs tors. theta energy: -240.962
Dist. restrs. and SS energy: 2.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -2572.259825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.259825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.734294 (E_RNA)
where:
Base-Base interactions energy: -1737.062
where: short stacking energy: -750.763
Base-Backbone interact. energy: -0.158
local terms energy: -837.514030
where:
bonds (distance) C4'-P energy: -168.914
bonds (distance) P-C4' energy: -148.007
flat angles C4'-P-C4' energy: -180.968
flat angles P-C4'-P energy: -120.872
tors. eta vs tors. theta energy: -218.752
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: 4, replica: 4
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -2496.009727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.009727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.610315 (E_RNA)
where:
Base-Base interactions energy: -1695.714
where: short stacking energy: -742.643
Base-Backbone interact. energy: -3.028
local terms energy: -798.868195
where:
bonds (distance) C4'-P energy: -147.185
bonds (distance) P-C4' energy: -160.191
flat angles C4'-P-C4' energy: -166.861
flat angles P-C4'-P energy: -99.571
tors. eta vs tors. theta energy: -225.061
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: 5, replica: 8
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -2232.628576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.628576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.796402 (E_RNA)
where:
Base-Base interactions energy: -1510.025
where: short stacking energy: -653.640
Base-Backbone interact. energy: -2.446
local terms energy: -722.326274
where:
bonds (distance) C4'-P energy: -138.841
bonds (distance) P-C4' energy: -144.486
flat angles C4'-P-C4' energy: -148.847
flat angles P-C4'-P energy: -105.214
tors. eta vs tors. theta energy: -184.939
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: 6, replica: 7
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -2175.157609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.157609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.737372 (E_RNA)
where:
Base-Base interactions energy: -1458.817
where: short stacking energy: -622.454
Base-Backbone interact. energy: 4.949
local terms energy: -722.869511
where:
bonds (distance) C4'-P energy: -150.115
bonds (distance) P-C4' energy: -157.741
flat angles C4'-P-C4' energy: -151.050
flat angles P-C4'-P energy: -106.331
tors. eta vs tors. theta energy: -157.633
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: 1
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -2083.827342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.827342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.259990 (E_RNA)
where:
Base-Base interactions energy: -1427.695
where: short stacking energy: -598.223
Base-Backbone interact. energy: -4.734
local terms energy: -653.830160
where:
bonds (distance) C4'-P energy: -99.142
bonds (distance) P-C4' energy: -116.737
flat angles C4'-P-C4' energy: -166.202
flat angles P-C4'-P energy: -101.710
tors. eta vs tors. theta energy: -170.040
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: 8, replica: 3
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -2037.983264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.983264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.774250 (E_RNA)
where:
Base-Base interactions energy: -1353.885
where: short stacking energy: -571.158
Base-Backbone interact. energy: 5.814
local terms energy: -692.702912
where:
bonds (distance) C4'-P energy: -142.330
bonds (distance) P-C4' energy: -149.546
flat angles C4'-P-C4' energy: -164.390
flat angles P-C4'-P energy: -90.312
tors. eta vs tors. theta energy: -146.125
Dist. restrs. and SS energy: 2.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -1909.113472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.113472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.912984 (E_RNA)
where:
Base-Base interactions energy: -1296.660
where: short stacking energy: -552.071
Base-Backbone interact. energy: 4.299
local terms energy: -619.552122
where:
bonds (distance) C4'-P energy: -104.854
bonds (distance) P-C4' energy: -152.441
flat angles C4'-P-C4' energy: -153.240
flat angles P-C4'-P energy: -73.872
tors. eta vs tors. theta energy: -135.145
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: 10, replica: 6
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -1882.924777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.924777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.254361 (E_RNA)
where:
Base-Base interactions energy: -1297.792
where: short stacking energy: -557.155
Base-Backbone interact. energy: -0.984
local terms energy: -587.478506
where:
bonds (distance) C4'-P energy: -116.167
bonds (distance) P-C4' energy: -111.693
flat angles C4'-P-C4' energy: -128.553
flat angles P-C4'-P energy: -85.704
tors. eta vs tors. theta energy: -145.362
Dist. restrs. and SS energy: 3.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -2815.330275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.330275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.705824 (E_RNA)
where:
Base-Base interactions energy: -1927.425
where: short stacking energy: -832.041
Base-Backbone interact. energy: -3.718
local terms energy: -885.562559
where:
bonds (distance) C4'-P energy: -167.856
bonds (distance) P-C4' energy: -146.802
flat angles C4'-P-C4' energy: -179.673
flat angles P-C4'-P energy: -136.200
tors. eta vs tors. theta energy: -255.031
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: 10
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -2761.070481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.070481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.779019 (E_RNA)
where:
Base-Base interactions energy: -1872.097
where: short stacking energy: -790.582
Base-Backbone interact. energy: -4.272
local terms energy: -886.409277
where:
bonds (distance) C4'-P energy: -163.610
bonds (distance) P-C4' energy: -158.084
flat angles C4'-P-C4' energy: -186.366
flat angles P-C4'-P energy: -129.113
tors. eta vs tors. theta energy: -249.236
Dist. restrs. and SS energy: 1.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -2615.207222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.207222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.782555 (E_RNA)
where:
Base-Base interactions energy: -1777.596
where: short stacking energy: -764.134
Base-Backbone interact. energy: -0.184
local terms energy: -839.003441
where:
bonds (distance) C4'-P energy: -138.815
bonds (distance) P-C4' energy: -158.175
flat angles C4'-P-C4' energy: -172.950
flat angles P-C4'-P energy: -134.152
tors. eta vs tors. theta energy: -234.911
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: 4, replica: 4
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -2444.477063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.477063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.671890 (E_RNA)
where:
Base-Base interactions energy: -1665.994
where: short stacking energy: -728.585
Base-Backbone interact. energy: -1.672
local terms energy: -778.006141
where:
bonds (distance) C4'-P energy: -140.477
bonds (distance) P-C4' energy: -148.679
flat angles C4'-P-C4' energy: -171.046
flat angles P-C4'-P energy: -106.995
tors. eta vs tors. theta energy: -210.808
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: 5, replica: 8
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -2222.089742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.089742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.131509 (E_RNA)
where:
Base-Base interactions energy: -1501.453
where: short stacking energy: -621.902
Base-Backbone interact. energy: 2.988
local terms energy: -725.665994
where:
bonds (distance) C4'-P energy: -135.169
bonds (distance) P-C4' energy: -148.468
flat angles C4'-P-C4' energy: -165.315
flat angles P-C4'-P energy: -110.925
tors. eta vs tors. theta energy: -165.789
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: 6, replica: 7
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -2199.973520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.973520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.448186 (E_RNA)
where:
Base-Base interactions energy: -1508.129
where: short stacking energy: -667.731
Base-Backbone interact. energy: -3.186
local terms energy: -692.132516
where:
bonds (distance) C4'-P energy: -142.099
bonds (distance) P-C4' energy: -122.329
flat angles C4'-P-C4' energy: -164.142
flat angles P-C4'-P energy: -87.276
tors. eta vs tors. theta energy: -176.286
Dist. restrs. and SS energy: 3.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -2120.594761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.594761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.952363 (E_RNA)
where:
Base-Base interactions energy: -1415.336
where: short stacking energy: -619.870
Base-Backbone interact. energy: 1.541
local terms energy: -709.156962
where:
bonds (distance) C4'-P energy: -142.063
bonds (distance) P-C4' energy: -156.968
flat angles C4'-P-C4' energy: -154.554
flat angles P-C4'-P energy: -97.628
tors. eta vs tors. theta energy: -157.944
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: 8, replica: 3
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -2034.415017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.415017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.458328 (E_RNA)
where:
Base-Base interactions energy: -1407.354
where: short stacking energy: -596.416
Base-Backbone interact. energy: -3.273
local terms energy: -625.831465
where:
bonds (distance) C4'-P energy: -130.231
bonds (distance) P-C4' energy: -115.743
flat angles C4'-P-C4' energy: -136.568
flat angles P-C4'-P energy: -78.638
tors. eta vs tors. theta energy: -164.651
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: 9, replica: 6
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -1959.124215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.124215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.491655 (E_RNA)
where:
Base-Base interactions energy: -1314.576
where: short stacking energy: -541.689
Base-Backbone interact. energy: -4.089
local terms energy: -642.826818
where:
bonds (distance) C4'-P energy: -139.240
bonds (distance) P-C4' energy: -135.556
flat angles C4'-P-C4' energy: -134.999
flat angles P-C4'-P energy: -86.338
tors. eta vs tors. theta energy: -146.694
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: 10, replica: 5
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -1870.041117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.041117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.485101 (E_RNA)
where:
Base-Base interactions energy: -1240.585
where: short stacking energy: -519.911
Base-Backbone interact. energy: 2.222
local terms energy: -637.121866
where:
bonds (distance) C4'-P energy: -147.585
bonds (distance) P-C4' energy: -143.773
flat angles C4'-P-C4' energy: -144.780
flat angles P-C4'-P energy: -83.533
tors. eta vs tors. theta energy: -117.449
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: 189
Temperature: 0.900000
Total energy: -2762.895504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.895504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2764.411796 (E_RNA)
where:
Base-Base interactions energy: -1917.951
where: short stacking energy: -838.229
Base-Backbone interact. energy: 6.866
local terms energy: -853.326167
where:
bonds (distance) C4'-P energy: -149.717
bonds (distance) P-C4' energy: -151.522
flat angles C4'-P-C4' energy: -184.893
flat angles P-C4'-P energy: -112.537
tors. eta vs tors. theta energy: -254.657
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: 2, replica: 10
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -2724.474894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.474894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.093339 (E_RNA)
where:
Base-Base interactions energy: -1874.069
where: short stacking energy: -819.550
Base-Backbone interact. energy: -2.231
local terms energy: -849.793101
where:
bonds (distance) C4'-P energy: -155.552
bonds (distance) P-C4' energy: -147.917
flat angles C4'-P-C4' energy: -193.149
flat angles P-C4'-P energy: -108.898
tors. eta vs tors. theta energy: -244.277
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: 3, replica: 2
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -2609.588923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.588923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.074210 (E_RNA)
where:
Base-Base interactions energy: -1750.987
where: short stacking energy: -779.586
Base-Backbone interact. energy: -1.203
local terms energy: -860.884852
where:
bonds (distance) C4'-P energy: -155.117
bonds (distance) P-C4' energy: -155.502
flat angles C4'-P-C4' energy: -183.599
flat angles P-C4'-P energy: -124.308
tors. eta vs tors. theta energy: -242.359
Dist. restrs. and SS energy: 3.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -2463.941743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.941743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.415020 (E_RNA)
where:
Base-Base interactions energy: -1685.414
where: short stacking energy: -730.159
Base-Backbone interact. energy: -1.278
local terms energy: -779.723005
where:
bonds (distance) C4'-P energy: -143.213
bonds (distance) P-C4' energy: -141.086
flat angles C4'-P-C4' energy: -177.546
flat angles P-C4'-P energy: -106.865
tors. eta vs tors. theta energy: -211.013
Dist. restrs. and SS energy: 2.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -2263.921959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.921959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.639819 (E_RNA)
where:
Base-Base interactions energy: -1518.990
where: short stacking energy: -650.062
Base-Backbone interact. energy: -4.467
local terms energy: -742.182387
where:
bonds (distance) C4'-P energy: -139.584
bonds (distance) P-C4' energy: -145.600
flat angles C4'-P-C4' energy: -165.738
flat angles P-C4'-P energy: -123.174
tors. eta vs tors. theta energy: -168.087
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: 6, replica: 7
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -2178.116669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.116669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.881044 (E_RNA)
where:
Base-Base interactions energy: -1439.468
where: short stacking energy: -633.048
Base-Backbone interact. energy: -4.282
local terms energy: -736.131556
where:
bonds (distance) C4'-P energy: -139.004
bonds (distance) P-C4' energy: -157.748
flat angles C4'-P-C4' energy: -157.052
flat angles P-C4'-P energy: -114.976
tors. eta vs tors. theta energy: -167.351
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: 7, replica: 1
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -2104.051656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.051656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.610125 (E_RNA)
where:
Base-Base interactions energy: -1379.126
where: short stacking energy: -615.815
Base-Backbone interact. energy: 2.602
local terms energy: -730.086264
where:
bonds (distance) C4'-P energy: -147.645
bonds (distance) P-C4' energy: -154.511
flat angles C4'-P-C4' energy: -146.281
flat angles P-C4'-P energy: -107.858
tors. eta vs tors. theta energy: -173.791
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: 8, replica: 6
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -2034.769110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.769110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.556898 (E_RNA)
where:
Base-Base interactions energy: -1401.249
where: short stacking energy: -599.951
Base-Backbone interact. energy: 1.289
local terms energy: -636.596545
where:
bonds (distance) C4'-P energy: -133.612
bonds (distance) P-C4' energy: -120.286
flat angles C4'-P-C4' energy: -140.784
flat angles P-C4'-P energy: -79.137
tors. eta vs tors. theta energy: -162.778
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: 189
Temperature: 1.300000
Total energy: -1969.264526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.264526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.913424 (E_RNA)
where:
Base-Base interactions energy: -1358.219
where: short stacking energy: -589.911
Base-Backbone interact. energy: 0.456
local terms energy: -615.149640
where:
bonds (distance) C4'-P energy: -113.309
bonds (distance) P-C4' energy: -133.096
flat angles C4'-P-C4' energy: -133.870
flat angles P-C4'-P energy: -80.497
tors. eta vs tors. theta energy: -154.378
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: 10, replica: 5
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -1830.915577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.915577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.060354 (E_RNA)
where:
Base-Base interactions energy: -1254.189
where: short stacking energy: -506.333
Base-Backbone interact. energy: -2.789
local terms energy: -577.082336
where:
bonds (distance) C4'-P energy: -97.050
bonds (distance) P-C4' energy: -138.837
flat angles C4'-P-C4' energy: -128.688
flat angles P-C4'-P energy: -87.167
tors. eta vs tors. theta energy: -125.340
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: 1, replica: 9
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -2770.300434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.300434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.711714 (E_RNA)
where:
Base-Base interactions energy: -1903.451
where: short stacking energy: -839.858
Base-Backbone interact. energy: -2.781
local terms energy: -865.479493
where:
bonds (distance) C4'-P energy: -154.014
bonds (distance) P-C4' energy: -166.072
flat angles C4'-P-C4' energy: -187.563
flat angles P-C4'-P energy: -110.163
tors. eta vs tors. theta energy: -247.668
Dist. restrs. and SS energy: 1.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -2709.064226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.064226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.972682 (E_RNA)
where:
Base-Base interactions energy: -1861.247
where: short stacking energy: -789.653
Base-Backbone interact. energy: -2.644
local terms energy: -846.081571
where:
bonds (distance) C4'-P energy: -144.284
bonds (distance) P-C4' energy: -164.017
flat angles C4'-P-C4' energy: -178.452
flat angles P-C4'-P energy: -119.920
tors. eta vs tors. theta energy: -239.409
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: 3, replica: 2
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -2579.133208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.133208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.633206 (E_RNA)
where:
Base-Base interactions energy: -1764.600
where: short stacking energy: -761.226
Base-Backbone interact. energy: -4.012
local terms energy: -813.021590
where:
bonds (distance) C4'-P energy: -153.061
bonds (distance) P-C4' energy: -154.203
flat angles C4'-P-C4' energy: -167.183
flat angles P-C4'-P energy: -121.032
tors. eta vs tors. theta energy: -217.542
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: 4, replica: 4
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -2416.977111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.977111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.892492 (E_RNA)
where:
Base-Base interactions energy: -1653.984
where: short stacking energy: -712.597
Base-Backbone interact. energy: 2.325
local terms energy: -767.233542
where:
bonds (distance) C4'-P energy: -149.023
bonds (distance) P-C4' energy: -159.712
flat angles C4'-P-C4' energy: -170.435
flat angles P-C4'-P energy: -95.291
tors. eta vs tors. theta energy: -192.773
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: 5, replica: 8
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -2265.560688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.560688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.435264 (E_RNA)
where:
Base-Base interactions energy: -1522.025
where: short stacking energy: -658.539
Base-Backbone interact. energy: -3.927
local terms energy: -741.483786
where:
bonds (distance) C4'-P energy: -147.502
bonds (distance) P-C4' energy: -149.921
flat angles C4'-P-C4' energy: -152.253
flat angles P-C4'-P energy: -106.830
tors. eta vs tors. theta energy: -184.978
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: 6, replica: 7
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -2189.823916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.823916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.315073 (E_RNA)
where:
Base-Base interactions energy: -1487.443
where: short stacking energy: -657.373
Base-Backbone interact. energy: -1.793
local terms energy: -703.078637
where:
bonds (distance) C4'-P energy: -141.930
bonds (distance) P-C4' energy: -129.177
flat angles C4'-P-C4' energy: -155.524
flat angles P-C4'-P energy: -103.598
tors. eta vs tors. theta energy: -172.849
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: 7, replica: 1
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -2052.831378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.831378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.532717 (E_RNA)
where:
Base-Base interactions energy: -1383.297
where: short stacking energy: -601.492
Base-Backbone interact. energy: 1.517
local terms energy: -674.752694
where:
bonds (distance) C4'-P energy: -119.101
bonds (distance) P-C4' energy: -132.917
flat angles C4'-P-C4' energy: -169.616
flat angles P-C4'-P energy: -93.330
tors. eta vs tors. theta energy: -159.788
Dist. restrs. and SS energy: 3.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -1976.447010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.447010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.164396 (E_RNA)
where:
Base-Base interactions energy: -1342.058
where: short stacking energy: -576.077
Base-Backbone interact. energy: 0.247
local terms energy: -636.353420
where:
bonds (distance) C4'-P energy: -113.889
bonds (distance) P-C4' energy: -127.528
flat angles C4'-P-C4' energy: -149.427
flat angles P-C4'-P energy: -94.368
tors. eta vs tors. theta energy: -151.141
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: 9, replica: 3
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -1962.330706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.330706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.713509 (E_RNA)
where:
Base-Base interactions energy: -1349.234
where: short stacking energy: -579.756
Base-Backbone interact. energy: -1.797
local terms energy: -614.682437
where:
bonds (distance) C4'-P energy: -138.913
bonds (distance) P-C4' energy: -128.093
flat angles C4'-P-C4' energy: -135.868
flat angles P-C4'-P energy: -71.431
tors. eta vs tors. theta energy: -140.378
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: 10, replica: 5
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -1869.435066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.435066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.866429 (E_RNA)
where:
Base-Base interactions energy: -1274.278
where: short stacking energy: -512.357
Base-Backbone interact. energy: 0.601
local terms energy: -597.188999
where:
bonds (distance) C4'-P energy: -127.195
bonds (distance) P-C4' energy: -143.886
flat angles C4'-P-C4' energy: -132.442
flat angles P-C4'-P energy: -69.756
tors. eta vs tors. theta energy: -123.911
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: 1, replica: 9
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -2825.615768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.615768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.983987 (E_RNA)
where:
Base-Base interactions energy: -1974.185
where: short stacking energy: -836.153
Base-Backbone interact. energy: -2.391
local terms energy: -850.407297
where:
bonds (distance) C4'-P energy: -143.931
bonds (distance) P-C4' energy: -164.195
flat angles C4'-P-C4' energy: -197.259
flat angles P-C4'-P energy: -117.675
tors. eta vs tors. theta energy: -227.347
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: 10
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -2689.056817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.056817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.239391 (E_RNA)
where:
Base-Base interactions energy: -1836.158
where: short stacking energy: -779.216
Base-Backbone interact. energy: -1.406
local terms energy: -852.675007
where:
bonds (distance) C4'-P energy: -159.515
bonds (distance) P-C4' energy: -158.443
flat angles C4'-P-C4' energy: -172.761
flat angles P-C4'-P energy: -131.892
tors. eta vs tors. theta energy: -230.065
Dist. restrs. and SS energy: 1.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -2536.271751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.271751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.644613 (E_RNA)
where:
Base-Base interactions energy: -1733.049
where: short stacking energy: -730.958
Base-Backbone interact. energy: -3.357
local terms energy: -802.237986
where:
bonds (distance) C4'-P energy: -161.590
bonds (distance) P-C4' energy: -151.654
flat angles C4'-P-C4' energy: -162.712
flat angles P-C4'-P energy: -122.184
tors. eta vs tors. theta energy: -204.097
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: 4, replica: 4
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -2488.351953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.351953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.669743 (E_RNA)
where:
Base-Base interactions energy: -1701.879
where: short stacking energy: -725.792
Base-Backbone interact. energy: -0.185
local terms energy: -788.605826
where:
bonds (distance) C4'-P energy: -145.144
bonds (distance) P-C4' energy: -150.700
flat angles C4'-P-C4' energy: -173.506
flat angles P-C4'-P energy: -119.841
tors. eta vs tors. theta energy: -199.414
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: 5, replica: 8
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -2262.674664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.674664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.061927 (E_RNA)
where:
Base-Base interactions energy: -1510.816
where: short stacking energy: -680.606
Base-Backbone interact. energy: 0.230
local terms energy: -754.475710
where:
bonds (distance) C4'-P energy: -151.726
bonds (distance) P-C4' energy: -144.004
flat angles C4'-P-C4' energy: -141.630
flat angles P-C4'-P energy: -128.649
tors. eta vs tors. theta energy: -188.466
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: 7
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -2167.870082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.870082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.973063 (E_RNA)
where:
Base-Base interactions energy: -1506.231
where: short stacking energy: -623.132
Base-Backbone interact. energy: 5.951
local terms energy: -670.693298
where:
bonds (distance) C4'-P energy: -131.123
bonds (distance) P-C4' energy: -135.929
flat angles C4'-P-C4' energy: -144.785
flat angles P-C4'-P energy: -97.575
tors. eta vs tors. theta energy: -161.281
Dist. restrs. and SS energy: 3.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -2080.908747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.908747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.450259 (E_RNA)
where:
Base-Base interactions energy: -1409.608
where: short stacking energy: -606.213
Base-Backbone interact. energy: 5.703
local terms energy: -678.545311
where:
bonds (distance) C4'-P energy: -134.875
bonds (distance) P-C4' energy: -128.559
flat angles C4'-P-C4' energy: -153.781
flat angles P-C4'-P energy: -99.528
tors. eta vs tors. theta energy: -161.802
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: 8, replica: 6
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -1992.181123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.181123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.752024 (E_RNA)
where:
Base-Base interactions energy: -1333.153
where: short stacking energy: -581.897
Base-Backbone interact. energy: 2.452
local terms energy: -667.050658
where:
bonds (distance) C4'-P energy: -118.551
bonds (distance) P-C4' energy: -132.055
flat angles C4'-P-C4' energy: -151.730
flat angles P-C4'-P energy: -113.382
tors. eta vs tors. theta energy: -151.334
Dist. restrs. and SS energy: 5.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -1934.160937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.160937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.647499 (E_RNA)
where:
Base-Base interactions energy: -1301.701
where: short stacking energy: -525.308
Base-Backbone interact. energy: 1.028
local terms energy: -635.974123
where:
bonds (distance) C4'-P energy: -134.756
bonds (distance) P-C4' energy: -122.941
flat angles C4'-P-C4' energy: -140.190
flat angles P-C4'-P energy: -97.958
tors. eta vs tors. theta energy: -140.129
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: 10, replica: 5
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -1904.875576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.875576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.087427 (E_RNA)
where:
Base-Base interactions energy: -1311.779
where: short stacking energy: -555.421
Base-Backbone interact. energy: -3.149
local terms energy: -592.159042
where:
bonds (distance) C4'-P energy: -119.357
bonds (distance) P-C4' energy: -110.046
flat angles C4'-P-C4' energy: -142.423
flat angles P-C4'-P energy: -73.610
tors. eta vs tors. theta energy: -146.723
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: 1, replica: 9
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -2813.885986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.885986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.398489 (E_RNA)
where:
Base-Base interactions energy: -1939.419
where: short stacking energy: -817.657
Base-Backbone interact. energy: 3.136
local terms energy: -879.115242
where:
bonds (distance) C4'-P energy: -160.628
bonds (distance) P-C4' energy: -170.007
flat angles C4'-P-C4' energy: -185.592
flat angles P-C4'-P energy: -122.211
tors. eta vs tors. theta energy: -240.679
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: 10
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -2695.924585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.924585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.184391 (E_RNA)
where:
Base-Base interactions energy: -1834.781
where: short stacking energy: -805.197
Base-Backbone interact. energy: -1.004
local terms energy: -861.399842
where:
bonds (distance) C4'-P energy: -167.188
bonds (distance) P-C4' energy: -149.099
flat angles C4'-P-C4' energy: -184.188
flat angles P-C4'-P energy: -121.702
tors. eta vs tors. theta energy: -239.223
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: 3, replica: 4
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -2605.588885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.588885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.242192 (E_RNA)
where:
Base-Base interactions energy: -1811.832
where: short stacking energy: -765.803
Base-Backbone interact. energy: 2.388
local terms energy: -798.798687
where:
bonds (distance) C4'-P energy: -148.404
bonds (distance) P-C4' energy: -155.745
flat angles C4'-P-C4' energy: -174.399
flat angles P-C4'-P energy: -110.695
tors. eta vs tors. theta energy: -209.556
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: 4, replica: 2
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -2494.093147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.093147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.970445 (E_RNA)
where:
Base-Base interactions energy: -1666.076
where: short stacking energy: -714.496
Base-Backbone interact. energy: -1.014
local terms energy: -830.880599
where:
bonds (distance) C4'-P energy: -147.490
bonds (distance) P-C4' energy: -174.047
flat angles C4'-P-C4' energy: -180.552
flat angles P-C4'-P energy: -110.538
tors. eta vs tors. theta energy: -218.252
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: 5, replica: 7
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -2285.017811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.017811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.172615 (E_RNA)
where:
Base-Base interactions energy: -1577.650
where: short stacking energy: -675.254
Base-Backbone interact. energy: -3.420
local terms energy: -706.102566
where:
bonds (distance) C4'-P energy: -135.927
bonds (distance) P-C4' energy: -140.401
flat angles C4'-P-C4' energy: -150.847
flat angles P-C4'-P energy: -90.658
tors. eta vs tors. theta energy: -188.269
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: 8
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -2154.579487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.579487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.857634 (E_RNA)
where:
Base-Base interactions energy: -1453.823
where: short stacking energy: -607.719
Base-Backbone interact. energy: 2.389
local terms energy: -705.423386
where:
bonds (distance) C4'-P energy: -146.925
bonds (distance) P-C4' energy: -130.540
flat angles C4'-P-C4' energy: -150.133
flat angles P-C4'-P energy: -101.146
tors. eta vs tors. theta energy: -176.680
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: 1
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -2149.699893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.699893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.885334 (E_RNA)
where:
Base-Base interactions energy: -1434.081
where: short stacking energy: -622.581
Base-Backbone interact. energy: 0.489
local terms energy: -718.292948
where:
bonds (distance) C4'-P energy: -133.327
bonds (distance) P-C4' energy: -159.786
flat angles C4'-P-C4' energy: -162.588
flat angles P-C4'-P energy: -96.712
tors. eta vs tors. theta energy: -165.881
Dist. restrs. and SS energy: 2.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -1998.226150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.226150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.303368 (E_RNA)
where:
Base-Base interactions energy: -1349.187
where: short stacking energy: -565.449
Base-Backbone interact. energy: 5.863
local terms energy: -656.978999
where:
bonds (distance) C4'-P energy: -129.415
bonds (distance) P-C4' energy: -149.416
flat angles C4'-P-C4' energy: -135.056
flat angles P-C4'-P energy: -93.909
tors. eta vs tors. theta energy: -149.183
Dist. restrs. and SS energy: 2.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -1930.801977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.801977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.197990 (E_RNA)
where:
Base-Base interactions energy: -1328.951
where: short stacking energy: -559.712
Base-Backbone interact. energy: -1.248
local terms energy: -602.998746
where:
bonds (distance) C4'-P energy: -110.274
bonds (distance) P-C4' energy: -126.688
flat angles C4'-P-C4' energy: -147.801
flat angles P-C4'-P energy: -78.752
tors. eta vs tors. theta energy: -139.484
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: 10, replica: 3
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -1839.741858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.741858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.216565 (E_RNA)
where:
Base-Base interactions energy: -1245.212
where: short stacking energy: -501.838
Base-Backbone interact. energy: 1.589
local terms energy: -599.592997
where:
bonds (distance) C4'-P energy: -119.723
bonds (distance) P-C4' energy: -126.564
flat angles C4'-P-C4' energy: -154.255
flat angles P-C4'-P energy: -84.664
tors. eta vs tors. theta energy: -114.387
Dist. restrs. and SS energy: 3.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -2824.768069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.768069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.663661 (E_RNA)
where:
Base-Base interactions energy: -1915.478
where: short stacking energy: -837.342
Base-Backbone interact. energy: 0.358
local terms energy: -911.543865
where:
bonds (distance) C4'-P energy: -177.720
bonds (distance) P-C4' energy: -165.313
flat angles C4'-P-C4' energy: -186.307
flat angles P-C4'-P energy: -129.082
tors. eta vs tors. theta energy: -253.123
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: 2, replica: 10
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -2717.884233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.884233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.208801 (E_RNA)
where:
Base-Base interactions energy: -1852.540
where: short stacking energy: -831.997
Base-Backbone interact. energy: -2.022
local terms energy: -864.646803
where:
bonds (distance) C4'-P energy: -152.535
bonds (distance) P-C4' energy: -168.853
flat angles C4'-P-C4' energy: -175.528
flat angles P-C4'-P energy: -120.040
tors. eta vs tors. theta energy: -247.690
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: 3, replica: 4
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -2566.912166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.912166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.928505 (E_RNA)
where:
Base-Base interactions energy: -1759.045
where: short stacking energy: -753.910
Base-Backbone interact. energy: 1.131
local terms energy: -812.014552
where:
bonds (distance) C4'-P energy: -138.656
bonds (distance) P-C4' energy: -160.935
flat angles C4'-P-C4' energy: -179.623
flat angles P-C4'-P energy: -115.236
tors. eta vs tors. theta energy: -217.565
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: 4, replica: 2
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -2506.343810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.343810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.355830 (E_RNA)
where:
Base-Base interactions energy: -1716.594
where: short stacking energy: -738.618
Base-Backbone interact. energy: -0.112
local terms energy: -792.649441
where:
bonds (distance) C4'-P energy: -141.899
bonds (distance) P-C4' energy: -151.383
flat angles C4'-P-C4' energy: -171.603
flat angles P-C4'-P energy: -116.304
tors. eta vs tors. theta energy: -211.460
Dist. restrs. and SS energy: 3.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -2301.062140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.062140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.834301 (E_RNA)
where:
Base-Base interactions energy: -1541.346
where: short stacking energy: -652.161
Base-Backbone interact. energy: -4.421
local terms energy: -757.066556
where:
bonds (distance) C4'-P energy: -147.444
bonds (distance) P-C4' energy: -150.696
flat angles C4'-P-C4' energy: -174.901
flat angles P-C4'-P energy: -98.700
tors. eta vs tors. theta energy: -185.326
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: 6, replica: 8
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -2187.351750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.351750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.086012 (E_RNA)
where:
Base-Base interactions energy: -1446.253
where: short stacking energy: -644.155
Base-Backbone interact. energy: -0.839
local terms energy: -741.994264
where:
bonds (distance) C4'-P energy: -138.634
bonds (distance) P-C4' energy: -144.375
flat angles C4'-P-C4' energy: -158.228
flat angles P-C4'-P energy: -108.480
tors. eta vs tors. theta energy: -192.277
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: 7, replica: 1
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -2113.512836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.512836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.101964 (E_RNA)
where:
Base-Base interactions energy: -1429.922
where: short stacking energy: -608.791
Base-Backbone interact. energy: -3.821
local terms energy: -681.358602
where:
bonds (distance) C4'-P energy: -122.071
bonds (distance) P-C4' energy: -134.893
flat angles C4'-P-C4' energy: -145.431
flat angles P-C4'-P energy: -106.976
tors. eta vs tors. theta energy: -171.987
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: 8, replica: 5
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -2007.215011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.215011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.200827 (E_RNA)
where:
Base-Base interactions energy: -1389.415
where: short stacking energy: -590.482
Base-Backbone interact. energy: 0.627
local terms energy: -620.413099
where:
bonds (distance) C4'-P energy: -130.196
bonds (distance) P-C4' energy: -131.654
flat angles C4'-P-C4' energy: -142.098
flat angles P-C4'-P energy: -85.892
tors. eta vs tors. theta energy: -130.573
Dist. restrs. and SS energy: 1.986 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -1968.968344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.968344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.621531 (E_RNA)
where:
Base-Base interactions energy: -1357.463
where: short stacking energy: -562.663
Base-Backbone interact. energy: 4.419
local terms energy: -618.577542
where:
bonds (distance) C4'-P energy: -107.273
bonds (distance) P-C4' energy: -139.077
flat angles C4'-P-C4' energy: -141.297
flat angles P-C4'-P energy: -92.774
tors. eta vs tors. theta energy: -138.157
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: 10, replica: 3
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -1883.669848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.669848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.682015 (E_RNA)
where:
Base-Base interactions energy: -1299.709
where: short stacking energy: -541.397
Base-Backbone interact. energy: 0.181
local terms energy: -587.154030
where:
bonds (distance) C4'-P energy: -108.159
bonds (distance) P-C4' energy: -131.504
flat angles C4'-P-C4' energy: -125.638
flat angles P-C4'-P energy: -84.371
tors. eta vs tors. theta energy: -137.481
Dist. restrs. and SS energy: 3.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -2831.310974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2831.310974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.970215 (E_RNA)
where:
Base-Base interactions energy: -1955.500
where: short stacking energy: -855.772
Base-Backbone interact. energy: 2.858
local terms energy: -880.327935
where:
bonds (distance) C4'-P energy: -154.731
bonds (distance) P-C4' energy: -145.780
flat angles C4'-P-C4' energy: -187.962
flat angles P-C4'-P energy: -133.309
tors. eta vs tors. theta energy: -258.547
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: 2, replica: 10
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -2736.195219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.195219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.892576 (E_RNA)
where:
Base-Base interactions energy: -1891.518
where: short stacking energy: -806.354
Base-Backbone interact. energy: 0.617
local terms energy: -846.991474
where:
bonds (distance) C4'-P energy: -153.364
bonds (distance) P-C4' energy: -146.341
flat angles C4'-P-C4' energy: -176.843
flat angles P-C4'-P energy: -128.260
tors. eta vs tors. theta energy: -242.184
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: 2
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -2562.935208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.935208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.146695 (E_RNA)
where:
Base-Base interactions energy: -1721.961
where: short stacking energy: -723.585
Base-Backbone interact. energy: 1.486
local terms energy: -843.671463
where:
bonds (distance) C4'-P energy: -163.884
bonds (distance) P-C4' energy: -155.918
flat angles C4'-P-C4' energy: -178.183
flat angles P-C4'-P energy: -119.465
tors. eta vs tors. theta energy: -226.221
Dist. restrs. and SS energy: 1.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -2521.650105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.650105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.128441 (E_RNA)
where:
Base-Base interactions energy: -1704.837
where: short stacking energy: -743.982
Base-Backbone interact. energy: 0.242
local terms energy: -819.532916
where:
bonds (distance) C4'-P energy: -142.221
bonds (distance) P-C4' energy: -160.166
flat angles C4'-P-C4' energy: -179.134
flat angles P-C4'-P energy: -125.971
tors. eta vs tors. theta energy: -212.041
Dist. restrs. and SS energy: 2.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -2263.479926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.479926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.656459 (E_RNA)
where:
Base-Base interactions energy: -1564.127
where: short stacking energy: -657.818
Base-Backbone interact. energy: -3.331
local terms energy: -697.198672
where:
bonds (distance) C4'-P energy: -129.876
bonds (distance) P-C4' energy: -149.403
flat angles C4'-P-C4' energy: -149.442
flat angles P-C4'-P energy: -83.814
tors. eta vs tors. theta energy: -184.663
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: 6, replica: 8
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -2169.514514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.514514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.350830 (E_RNA)
where:
Base-Base interactions energy: -1448.641
where: short stacking energy: -623.157
Base-Backbone interact. energy: -1.119
local terms energy: -722.590256
where:
bonds (distance) C4'-P energy: -133.125
bonds (distance) P-C4' energy: -155.136
flat angles C4'-P-C4' energy: -165.605
flat angles P-C4'-P energy: -89.413
tors. eta vs tors. theta energy: -179.311
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: 7, replica: 5
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -2054.906502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.906502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.152087 (E_RNA)
where:
Base-Base interactions energy: -1410.383
where: short stacking energy: -598.622
Base-Backbone interact. energy: -1.541
local terms energy: -646.227892
where:
bonds (distance) C4'-P energy: -134.891
bonds (distance) P-C4' energy: -124.812
flat angles C4'-P-C4' energy: -147.596
flat angles P-C4'-P energy: -79.312
tors. eta vs tors. theta energy: -159.616
Dist. restrs. and SS energy: 3.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -2069.920443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.920443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.229551 (E_RNA)
where:
Base-Base interactions energy: -1403.317
where: short stacking energy: -591.827
Base-Backbone interact. energy: -2.885
local terms energy: -666.027397
where:
bonds (distance) C4'-P energy: -126.201
bonds (distance) P-C4' energy: -132.740
flat angles C4'-P-C4' energy: -145.410
flat angles P-C4'-P energy: -103.356
tors. eta vs tors. theta energy: -158.321
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: 9, replica: 6
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -1982.394497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.394497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.221091 (E_RNA)
where:
Base-Base interactions energy: -1341.265
where: short stacking energy: -566.439
Base-Backbone interact. energy: -2.036
local terms energy: -642.919667
where:
bonds (distance) C4'-P energy: -122.392
bonds (distance) P-C4' energy: -138.812
flat angles C4'-P-C4' energy: -134.432
flat angles P-C4'-P energy: -89.562
tors. eta vs tors. theta energy: -157.722
Dist. restrs. and SS energy: 3.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -1910.015113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.015113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.021168 (E_RNA)
where:
Base-Base interactions energy: -1306.767
where: short stacking energy: -539.221
Base-Backbone interact. energy: -3.751
local terms energy: -602.504019
where:
bonds (distance) C4'-P energy: -91.191
bonds (distance) P-C4' energy: -126.548
flat angles C4'-P-C4' energy: -161.894
flat angles P-C4'-P energy: -95.023
tors. eta vs tors. theta energy: -127.848
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: 1, replica: 9
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -2804.016913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.016913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.633875 (E_RNA)
where:
Base-Base interactions energy: -1928.844
where: short stacking energy: -885.175
Base-Backbone interact. energy: 0.623
local terms energy: -877.413027
where:
bonds (distance) C4'-P energy: -147.962
bonds (distance) P-C4' energy: -163.742
flat angles C4'-P-C4' energy: -192.970
flat angles P-C4'-P energy: -121.807
tors. eta vs tors. theta energy: -250.932
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: 2, replica: 10
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -2721.799005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.799005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.353895 (E_RNA)
where:
Base-Base interactions energy: -1848.748
where: short stacking energy: -801.997
Base-Backbone interact. energy: -3.481
local terms energy: -871.125556
where:
bonds (distance) C4'-P energy: -161.598
bonds (distance) P-C4' energy: -159.428
flat angles C4'-P-C4' energy: -186.197
flat angles P-C4'-P energy: -114.900
tors. eta vs tors. theta energy: -249.001
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: 3, replica: 2
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -2601.232495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.232495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.424969 (E_RNA)
where:
Base-Base interactions energy: -1824.881
where: short stacking energy: -772.086
Base-Backbone interact. energy: -2.748
local terms energy: -774.796169
where:
bonds (distance) C4'-P energy: -134.450
bonds (distance) P-C4' energy: -126.273
flat angles C4'-P-C4' energy: -171.553
flat angles P-C4'-P energy: -116.131
tors. eta vs tors. theta energy: -226.389
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: 4, replica: 4
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -2525.204632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.204632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.923428 (E_RNA)
where:
Base-Base interactions energy: -1726.173
where: short stacking energy: -743.138
Base-Backbone interact. energy: 2.810
local terms energy: -804.560048
where:
bonds (distance) C4'-P energy: -140.150
bonds (distance) P-C4' energy: -151.309
flat angles C4'-P-C4' energy: -170.145
flat angles P-C4'-P energy: -121.943
tors. eta vs tors. theta energy: -221.013
Dist. restrs. and SS energy: 2.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -2284.950630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.950630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.413215 (E_RNA)
where:
Base-Base interactions energy: -1532.028
where: short stacking energy: -662.092
Base-Backbone interact. energy: -0.192
local terms energy: -754.192962
where:
bonds (distance) C4'-P energy: -153.294
bonds (distance) P-C4' energy: -159.674
flat angles C4'-P-C4' energy: -148.124
flat angles P-C4'-P energy: -120.541
tors. eta vs tors. theta energy: -172.559
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: 6, replica: 5
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -2130.898229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.898229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.962897 (E_RNA)
where:
Base-Base interactions energy: -1466.323
where: short stacking energy: -614.119
Base-Backbone interact. energy: 1.125
local terms energy: -668.764836
where:
bonds (distance) C4'-P energy: -152.496
bonds (distance) P-C4' energy: -124.848
flat angles C4'-P-C4' energy: -137.231
flat angles P-C4'-P energy: -93.448
tors. eta vs tors. theta energy: -160.742
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: 8
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -2136.151476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.151476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.000269 (E_RNA)
where:
Base-Base interactions energy: -1442.765
where: short stacking energy: -611.170
Base-Backbone interact. energy: 0.790
local terms energy: -696.025406
where:
bonds (distance) C4'-P energy: -117.988
bonds (distance) P-C4' energy: -140.236
flat angles C4'-P-C4' energy: -161.862
flat angles P-C4'-P energy: -105.030
tors. eta vs tors. theta energy: -170.908
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: 8, replica: 1
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -2053.113247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.113247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.130437 (E_RNA)
where:
Base-Base interactions energy: -1419.354
where: short stacking energy: -613.515
Base-Backbone interact. energy: -1.331
local terms energy: -634.445088
where:
bonds (distance) C4'-P energy: -117.554
bonds (distance) P-C4' energy: -120.261
flat angles C4'-P-C4' energy: -149.637
flat angles P-C4'-P energy: -98.355
tors. eta vs tors. theta energy: -148.637
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: 9, replica: 6
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -1972.584881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.584881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.664407 (E_RNA)
where:
Base-Base interactions energy: -1321.453
where: short stacking energy: -565.769
Base-Backbone interact. energy: -3.140
local terms energy: -650.072071
where:
bonds (distance) C4'-P energy: -138.718
bonds (distance) P-C4' energy: -143.031
flat angles C4'-P-C4' energy: -134.737
flat angles P-C4'-P energy: -90.874
tors. eta vs tors. theta energy: -142.712
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: 10, replica: 3
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -1862.059790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.059790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.896133 (E_RNA)
where:
Base-Base interactions energy: -1286.293
where: short stacking energy: -536.591
Base-Backbone interact. energy: -3.911
local terms energy: -574.691782
where:
bonds (distance) C4'-P energy: -95.412
bonds (distance) P-C4' energy: -145.176
flat angles C4'-P-C4' energy: -143.286
flat angles P-C4'-P energy: -71.113
tors. eta vs tors. theta energy: -119.705
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: 1, replica: 9
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -2821.606852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.606852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.768212 (E_RNA)
where:
Base-Base interactions energy: -1929.069
where: short stacking energy: -853.300
Base-Backbone interact. energy: 4.314
local terms energy: -898.012564
where:
bonds (distance) C4'-P energy: -159.106
bonds (distance) P-C4' energy: -167.241
flat angles C4'-P-C4' energy: -186.835
flat angles P-C4'-P energy: -123.961
tors. eta vs tors. theta energy: -260.869
Dist. restrs. and SS energy: 1.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -2778.791941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.791941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.515370 (E_RNA)
where:
Base-Base interactions energy: -1893.177
where: short stacking energy: -853.749
Base-Backbone interact. energy: 0.892
local terms energy: -887.229843
where:
bonds (distance) C4'-P energy: -152.585
bonds (distance) P-C4' energy: -179.582
flat angles C4'-P-C4' energy: -175.273
flat angles P-C4'-P energy: -126.693
tors. eta vs tors. theta energy: -253.097
Dist. restrs. and SS energy: 0.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -2582.571593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.571593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.633434 (E_RNA)
where:
Base-Base interactions energy: -1743.503
where: short stacking energy: -741.058
Base-Backbone interact. energy: -0.262
local terms energy: -841.868806
where:
bonds (distance) C4'-P energy: -163.779
bonds (distance) P-C4' energy: -156.741
flat angles C4'-P-C4' energy: -179.282
flat angles P-C4'-P energy: -127.098
tors. eta vs tors. theta energy: -214.968
Dist. restrs. and SS energy: 3.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -2477.994992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.994992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.408647 (E_RNA)
where:
Base-Base interactions energy: -1699.106
where: short stacking energy: -728.817
Base-Backbone interact. energy: -2.190
local terms energy: -779.113250
where:
bonds (distance) C4'-P energy: -144.012
bonds (distance) P-C4' energy: -144.267
flat angles C4'-P-C4' energy: -173.486
flat angles P-C4'-P energy: -112.551
tors. eta vs tors. theta energy: -204.797
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: 5, replica: 7
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -2254.239500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.239500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.570384 (E_RNA)
where:
Base-Base interactions energy: -1500.753
where: short stacking energy: -636.216
Base-Backbone interact. energy: -3.205
local terms energy: -753.612033
where:
bonds (distance) C4'-P energy: -160.970
bonds (distance) P-C4' energy: -149.411
flat angles C4'-P-C4' energy: -171.617
flat angles P-C4'-P energy: -111.282
tors. eta vs tors. theta energy: -160.332
Dist. restrs. and SS energy: 3.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -2142.927413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.927413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.946190 (E_RNA)
where:
Base-Base interactions energy: -1453.035
where: short stacking energy: -610.404
Base-Backbone interact. energy: -0.385
local terms energy: -691.525802
where:
bonds (distance) C4'-P energy: -119.031
bonds (distance) P-C4' energy: -151.623
flat angles C4'-P-C4' energy: -157.629
flat angles P-C4'-P energy: -108.097
tors. eta vs tors. theta energy: -155.146
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: 7, replica: 8
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -2159.359127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.359127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.260348 (E_RNA)
where:
Base-Base interactions energy: -1464.983
where: short stacking energy: -650.672
Base-Backbone interact. energy: -3.935
local terms energy: -692.342094
where:
bonds (distance) C4'-P energy: -131.558
bonds (distance) P-C4' energy: -126.487
flat angles C4'-P-C4' energy: -151.536
flat angles P-C4'-P energy: -101.083
tors. eta vs tors. theta energy: -181.678
Dist. restrs. and SS energy: 1.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -2043.033701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.033701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.836239 (E_RNA)
where:
Base-Base interactions energy: -1400.160
where: short stacking energy: -599.899
Base-Backbone interact. energy: -0.913
local terms energy: -644.763809
where:
bonds (distance) C4'-P energy: -140.213
bonds (distance) P-C4' energy: -117.221
flat angles C4'-P-C4' energy: -150.309
flat angles P-C4'-P energy: -82.210
tors. eta vs tors. theta energy: -154.812
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: 9, replica: 6
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -1978.035029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.035029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.460574 (E_RNA)
where:
Base-Base interactions energy: -1309.254
where: short stacking energy: -553.457
Base-Backbone interact. energy: -3.075
local terms energy: -670.131561
where:
bonds (distance) C4'-P energy: -145.523
bonds (distance) P-C4' energy: -140.579
flat angles C4'-P-C4' energy: -150.638
flat angles P-C4'-P energy: -96.783
tors. eta vs tors. theta energy: -136.609
Dist. restrs. and SS energy: 4.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -1883.177503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.177503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.228448 (E_RNA)
where:
Base-Base interactions energy: -1271.487
where: short stacking energy: -523.835
Base-Backbone interact. energy: 2.110
local terms energy: -616.851433
where:
bonds (distance) C4'-P energy: -115.020
bonds (distance) P-C4' energy: -139.606
flat angles C4'-P-C4' energy: -136.700
flat angles P-C4'-P energy: -95.341
tors. eta vs tors. theta energy: -130.184
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: 1, replica: 9
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -2785.420967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.420967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.391130 (E_RNA)
where:
Base-Base interactions energy: -1898.537
where: short stacking energy: -832.485
Base-Backbone interact. energy: 1.907
local terms energy: -890.760912
where:
bonds (distance) C4'-P energy: -150.350
bonds (distance) P-C4' energy: -169.060
flat angles C4'-P-C4' energy: -179.967
flat angles P-C4'-P energy: -134.596
tors. eta vs tors. theta energy: -256.787
Dist. restrs. and SS energy: 1.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -2714.381747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.381747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.928752 (E_RNA)
where:
Base-Base interactions energy: -1839.566
where: short stacking energy: -784.821
Base-Backbone interact. energy: -3.620
local terms energy: -872.743005
where:
bonds (distance) C4'-P energy: -173.346
bonds (distance) P-C4' energy: -158.324
flat angles C4'-P-C4' energy: -189.792
flat angles P-C4'-P energy: -113.164
tors. eta vs tors. theta energy: -238.118
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: 3, replica: 2
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -2671.870107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.870107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.215751 (E_RNA)
where:
Base-Base interactions energy: -1852.260
where: short stacking energy: -783.174
Base-Backbone interact. energy: -2.542
local terms energy: -819.413710
where:
bonds (distance) C4'-P energy: -139.717
bonds (distance) P-C4' energy: -156.688
flat angles C4'-P-C4' energy: -178.188
flat angles P-C4'-P energy: -110.111
tors. eta vs tors. theta energy: -234.710
Dist. restrs. and SS energy: 2.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -2461.703539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.703539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.179573 (E_RNA)
where:
Base-Base interactions energy: -1701.473
where: short stacking energy: -740.463
Base-Backbone interact. energy: -0.826
local terms energy: -760.880764
where:
bonds (distance) C4'-P energy: -143.465
bonds (distance) P-C4' energy: -130.600
flat angles C4'-P-C4' energy: -156.896
flat angles P-C4'-P energy: -116.922
tors. eta vs tors. theta energy: -212.997
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: 7
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -2249.627977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.627977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.950877 (E_RNA)
where:
Base-Base interactions energy: -1537.166
where: short stacking energy: -660.966
Base-Backbone interact. energy: -3.075
local terms energy: -710.709408
where:
bonds (distance) C4'-P energy: -138.610
bonds (distance) P-C4' energy: -142.274
flat angles C4'-P-C4' energy: -161.222
flat angles P-C4'-P energy: -92.306
tors. eta vs tors. theta energy: -176.296
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: 6, replica: 8
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -2225.438430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.438430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.420554 (E_RNA)
where:
Base-Base interactions energy: -1486.169
where: short stacking energy: -647.714
Base-Backbone interact. energy: 1.679
local terms energy: -742.929786
where:
bonds (distance) C4'-P energy: -148.836
bonds (distance) P-C4' energy: -154.732
flat angles C4'-P-C4' energy: -166.623
flat angles P-C4'-P energy: -95.682
tors. eta vs tors. theta energy: -177.057
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: 5
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -2084.515346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.515346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.495454 (E_RNA)
where:
Base-Base interactions energy: -1399.971
where: short stacking energy: -596.187
Base-Backbone interact. energy: 5.917
local terms energy: -692.441780
where:
bonds (distance) C4'-P energy: -145.313
bonds (distance) P-C4' energy: -141.146
flat angles C4'-P-C4' energy: -154.049
flat angles P-C4'-P energy: -97.288
tors. eta vs tors. theta energy: -154.646
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: 8, replica: 1
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -2026.252169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.252169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.056040 (E_RNA)
where:
Base-Base interactions energy: -1418.868
where: short stacking energy: -604.560
Base-Backbone interact. energy: -1.007
local terms energy: -608.180932
where:
bonds (distance) C4'-P energy: -123.756
bonds (distance) P-C4' energy: -119.464
flat angles C4'-P-C4' energy: -140.195
flat angles P-C4'-P energy: -69.114
tors. eta vs tors. theta energy: -155.651
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: 9, replica: 6
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -1967.847367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.847367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.427554 (E_RNA)
where:
Base-Base interactions energy: -1327.482
where: short stacking energy: -557.646
Base-Backbone interact. energy: -0.011
local terms energy: -642.933760
where:
bonds (distance) C4'-P energy: -127.403
bonds (distance) P-C4' energy: -138.068
flat angles C4'-P-C4' energy: -144.319
flat angles P-C4'-P energy: -83.153
tors. eta vs tors. theta energy: -149.991
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: 10, replica: 3
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -1839.275343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.275343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.871645 (E_RNA)
where:
Base-Base interactions energy: -1228.641
where: short stacking energy: -509.346
Base-Backbone interact. energy: -1.412
local terms energy: -614.818618
where:
bonds (distance) C4'-P energy: -109.079
bonds (distance) P-C4' energy: -152.787
flat angles C4'-P-C4' energy: -154.460
flat angles P-C4'-P energy: -83.125
tors. eta vs tors. theta energy: -115.368
Dist. restrs. and SS energy: 5.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -2783.693912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.693912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.784895 (E_RNA)
where:
Base-Base interactions energy: -1906.784
where: short stacking energy: -828.198
Base-Backbone interact. energy: -2.192
local terms energy: -876.809221
where:
bonds (distance) C4'-P energy: -154.432
bonds (distance) P-C4' energy: -170.223
flat angles C4'-P-C4' energy: -192.926
flat angles P-C4'-P energy: -119.523
tors. eta vs tors. theta energy: -239.704
Dist. restrs. and SS energy: 2.091 (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: 9
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -2758.199641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.199641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.469135 (E_RNA)
where:
Base-Base interactions energy: -1886.103
where: short stacking energy: -799.933
Base-Backbone interact. energy: 3.183
local terms energy: -876.548902
where:
bonds (distance) C4'-P energy: -165.478
bonds (distance) P-C4' energy: -166.204
flat angles C4'-P-C4' energy: -171.726
flat angles P-C4'-P energy: -130.587
tors. eta vs tors. theta energy: -242.554
Dist. restrs. and SS energy: 1.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -2652.772521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.772521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.509403 (E_RNA)
where:
Base-Base interactions energy: -1818.435
where: short stacking energy: -802.410
Base-Backbone interact. energy: 0.369
local terms energy: -837.442988
where:
bonds (distance) C4'-P energy: -150.929
bonds (distance) P-C4' energy: -158.049
flat angles C4'-P-C4' energy: -164.234
flat angles P-C4'-P energy: -126.909
tors. eta vs tors. theta energy: -237.322
Dist. restrs. and SS energy: 2.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -2459.010611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.010611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.601866 (E_RNA)
where:
Base-Base interactions energy: -1671.280
where: short stacking energy: -735.114
Base-Backbone interact. energy: -1.889
local terms energy: -789.432985
where:
bonds (distance) C4'-P energy: -136.934
bonds (distance) P-C4' energy: -153.651
flat angles C4'-P-C4' energy: -174.221
flat angles P-C4'-P energy: -122.316
tors. eta vs tors. theta energy: -202.311
Dist. restrs. and SS energy: 3.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -2371.476579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.476579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.986816 (E_RNA)
where:
Base-Base interactions energy: -1598.707
where: short stacking energy: -691.086
Base-Backbone interact. energy: 4.417
local terms energy: -779.696308
where:
bonds (distance) C4'-P energy: -142.889
bonds (distance) P-C4' energy: -166.428
flat angles C4'-P-C4' energy: -165.304
flat angles P-C4'-P energy: -106.885
tors. eta vs tors. theta energy: -198.191
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: 6, replica: 8
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -2217.588134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.588134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.529398 (E_RNA)
where:
Base-Base interactions energy: -1503.100
where: short stacking energy: -669.365
Base-Backbone interact. energy: 1.180
local terms energy: -717.608482
where:
bonds (distance) C4'-P energy: -142.308
bonds (distance) P-C4' energy: -137.961
flat angles C4'-P-C4' energy: -166.899
flat angles P-C4'-P energy: -84.411
tors. eta vs tors. theta energy: -186.029
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: 7, replica: 5
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -2105.390665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.390665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.965801 (E_RNA)
where:
Base-Base interactions energy: -1415.686
where: short stacking energy: -614.207
Base-Backbone interact. energy: -0.572
local terms energy: -691.707307
where:
bonds (distance) C4'-P energy: -128.929
bonds (distance) P-C4' energy: -145.157
flat angles C4'-P-C4' energy: -157.358
flat angles P-C4'-P energy: -87.384
tors. eta vs tors. theta energy: -172.880
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: 1
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -2032.382539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.382539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.833620 (E_RNA)
where:
Base-Base interactions energy: -1399.888
where: short stacking energy: -607.229
Base-Backbone interact. energy: 1.818
local terms energy: -636.763814
where:
bonds (distance) C4'-P energy: -114.784
bonds (distance) P-C4' energy: -135.013
flat angles C4'-P-C4' energy: -142.693
flat angles P-C4'-P energy: -88.840
tors. eta vs tors. theta energy: -155.434
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: 9, replica: 6
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -1980.739321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.739321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.359615 (E_RNA)
where:
Base-Base interactions energy: -1353.021
where: short stacking energy: -566.861
Base-Backbone interact. energy: 1.360
local terms energy: -630.697919
where:
bonds (distance) C4'-P energy: -132.024
bonds (distance) P-C4' energy: -128.503
flat angles C4'-P-C4' energy: -138.010
flat angles P-C4'-P energy: -93.032
tors. eta vs tors. theta energy: -139.129
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: 10, replica: 3
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -1913.769345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.769345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.832388 (E_RNA)
where:
Base-Base interactions energy: -1304.385
where: short stacking energy: -549.203
Base-Backbone interact. energy: 0.933
local terms energy: -612.380177
where:
bonds (distance) C4'-P energy: -119.614
bonds (distance) P-C4' energy: -131.194
flat angles C4'-P-C4' energy: -135.316
flat angles P-C4'-P energy: -87.053
tors. eta vs tors. theta energy: -139.203
Dist. restrs. and SS energy: 2.063 (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: 10
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -2769.217342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.217342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.035493 (E_RNA)
where:
Base-Base interactions energy: -1872.847
where: short stacking energy: -835.911
Base-Backbone interact. energy: -4.692
local terms energy: -893.497016
where:
bonds (distance) C4'-P energy: -168.559
bonds (distance) P-C4' energy: -166.205
flat angles C4'-P-C4' energy: -187.339
flat angles P-C4'-P energy: -118.593
tors. eta vs tors. theta energy: -252.800
Dist. restrs. and SS energy: 1.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -2771.463824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.463824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.770220 (E_RNA)
where:
Base-Base interactions energy: -1902.592
where: short stacking energy: -807.738
Base-Backbone interact. energy: -4.273
local terms energy: -865.905503
where:
bonds (distance) C4'-P energy: -157.104
bonds (distance) P-C4' energy: -159.236
flat angles C4'-P-C4' energy: -183.354
flat angles P-C4'-P energy: -120.174
tors. eta vs tors. theta energy: -246.037
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: 3, replica: 2
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -2626.383212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.383212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.452138 (E_RNA)
where:
Base-Base interactions energy: -1792.821
where: short stacking energy: -809.959
Base-Backbone interact. energy: -1.766
local terms energy: -834.865702
where:
bonds (distance) C4'-P energy: -143.924
bonds (distance) P-C4' energy: -152.708
flat angles C4'-P-C4' energy: -184.913
flat angles P-C4'-P energy: -110.939
tors. eta vs tors. theta energy: -242.382
Dist. restrs. and SS energy: 3.069 (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: 4
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -2438.485384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.485384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.941410 (E_RNA)
where:
Base-Base interactions energy: -1669.799
where: short stacking energy: -709.343
Base-Backbone interact. energy: 3.584
local terms energy: -773.726772
where:
bonds (distance) C4'-P energy: -147.698
bonds (distance) P-C4' energy: -147.802
flat angles C4'-P-C4' energy: -173.379
flat angles P-C4'-P energy: -116.176
tors. eta vs tors. theta energy: -188.671
Dist. restrs. and SS energy: 1.456 (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: 7
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -2333.016376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.016376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.202056 (E_RNA)
where:
Base-Base interactions energy: -1598.854
where: short stacking energy: -670.262
Base-Backbone interact. energy: -1.491
local terms energy: -735.857437
where:
bonds (distance) C4'-P energy: -126.791
bonds (distance) P-C4' energy: -169.660
flat angles C4'-P-C4' energy: -157.438
flat angles P-C4'-P energy: -103.408
tors. eta vs tors. theta energy: -178.562
Dist. restrs. and SS energy: 3.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -2167.415606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.415606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.402451 (E_RNA)
where:
Base-Base interactions energy: -1446.089
where: short stacking energy: -630.974
Base-Backbone interact. energy: -1.405
local terms energy: -722.908185
where:
bonds (distance) C4'-P energy: -132.452
bonds (distance) P-C4' energy: -148.963
flat angles C4'-P-C4' energy: -159.940
flat angles P-C4'-P energy: -102.953
tors. eta vs tors. theta energy: -178.599
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: 7, replica: 5
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -2063.814465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.814465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.594293 (E_RNA)
where:
Base-Base interactions energy: -1394.616
where: short stacking energy: -598.045
Base-Backbone interact. energy: 0.195
local terms energy: -672.173054
where:
bonds (distance) C4'-P energy: -126.468
bonds (distance) P-C4' energy: -141.389
flat angles C4'-P-C4' energy: -142.608
flat angles P-C4'-P energy: -111.824
tors. eta vs tors. theta energy: -149.885
Dist. restrs. and SS energy: 2.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -2003.856494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.856494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.967939 (E_RNA)
where:
Base-Base interactions energy: -1323.828
where: short stacking energy: -561.674
Base-Backbone interact. energy: 1.196
local terms energy: -684.335275
where:
bonds (distance) C4'-P energy: -126.095
bonds (distance) P-C4' energy: -164.421
flat angles C4'-P-C4' energy: -144.503
flat angles P-C4'-P energy: -96.615
tors. eta vs tors. theta energy: -152.701
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: 9, replica: 1
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -1940.344202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.344202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.216052 (E_RNA)
where:
Base-Base interactions energy: -1348.776
where: short stacking energy: -549.885
Base-Backbone interact. energy: -1.429
local terms energy: -594.011760
where:
bonds (distance) C4'-P energy: -113.441
bonds (distance) P-C4' energy: -124.893
flat angles C4'-P-C4' energy: -145.679
flat angles P-C4'-P energy: -80.454
tors. eta vs tors. theta energy: -129.544
Dist. restrs. and SS energy: 3.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -1855.162525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.162525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.499969 (E_RNA)
where:
Base-Base interactions energy: -1259.046
where: short stacking energy: -541.329
Base-Backbone interact. energy: -1.407
local terms energy: -600.047047
where:
bonds (distance) C4'-P energy: -131.912
bonds (distance) P-C4' energy: -125.328
flat angles C4'-P-C4' energy: -151.227
flat angles P-C4'-P energy: -69.615
tors. eta vs tors. theta energy: -121.965
Dist. restrs. and SS energy: 5.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -2757.657947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.657947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.098877 (E_RNA)
where:
Base-Base interactions energy: -1882.609
where: short stacking energy: -827.802
Base-Backbone interact. energy: -3.009
local terms energy: -873.480974
where:
bonds (distance) C4'-P energy: -174.542
bonds (distance) P-C4' energy: -161.696
flat angles C4'-P-C4' energy: -171.579
flat angles P-C4'-P energy: -132.531
tors. eta vs tors. theta energy: -233.132
Dist. restrs. and SS energy: 1.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -2729.240988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.240988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.844262 (E_RNA)
where:
Base-Base interactions energy: -1886.360
where: short stacking energy: -825.475
Base-Backbone interact. energy: -6.186
local terms energy: -839.298801
where:
bonds (distance) C4'-P energy: -144.228
bonds (distance) P-C4' energy: -166.196
flat angles C4'-P-C4' energy: -169.614
flat angles P-C4'-P energy: -120.657
tors. eta vs tors. theta energy: -238.605
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: 2
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -2640.570376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.570376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.948588 (E_RNA)
where:
Base-Base interactions energy: -1802.006
where: short stacking energy: -770.606
Base-Backbone interact. energy: -0.471
local terms energy: -840.471827
where:
bonds (distance) C4'-P energy: -147.938
bonds (distance) P-C4' energy: -165.646
flat angles C4'-P-C4' energy: -175.236
flat angles P-C4'-P energy: -124.599
tors. eta vs tors. theta energy: -227.053
Dist. restrs. and SS energy: 2.378 (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: 200
Temperature: 1.050000
Total energy: -2470.537006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.537006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.168874 (E_RNA)
where:
Base-Base interactions energy: -1672.754
where: short stacking energy: -729.912
Base-Backbone interact. energy: -2.811
local terms energy: -796.604259
where:
bonds (distance) C4'-P energy: -147.190
bonds (distance) P-C4' energy: -154.867
flat angles C4'-P-C4' energy: -174.218
flat angles P-C4'-P energy: -113.947
tors. eta vs tors. theta energy: -206.382
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: 5, replica: 7
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -2329.216305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.216305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.357919 (E_RNA)
where:
Base-Base interactions energy: -1587.326
where: short stacking energy: -667.589
Base-Backbone interact. energy: 2.970
local terms energy: -747.001025
where:
bonds (distance) C4'-P energy: -139.345
bonds (distance) P-C4' energy: -152.074
flat angles C4'-P-C4' energy: -172.179
flat angles P-C4'-P energy: -112.232
tors. eta vs tors. theta energy: -171.171
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: 6, replica: 8
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -2157.797816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.797816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.964553 (E_RNA)
where:
Base-Base interactions energy: -1439.566
where: short stacking energy: -614.269
Base-Backbone interact. energy: 2.040
local terms energy: -722.437914
where:
bonds (distance) C4'-P energy: -155.385
bonds (distance) P-C4' energy: -131.271
flat angles C4'-P-C4' energy: -160.023
flat angles P-C4'-P energy: -114.097
tors. eta vs tors. theta energy: -161.662
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: 6
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -2063.755575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.755575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.673722 (E_RNA)
where:
Base-Base interactions energy: -1401.090
where: short stacking energy: -606.533
Base-Backbone interact. energy: -3.523
local terms energy: -663.061224
where:
bonds (distance) C4'-P energy: -133.166
bonds (distance) P-C4' energy: -124.933
flat angles C4'-P-C4' energy: -163.987
flat angles P-C4'-P energy: -96.451
tors. eta vs tors. theta energy: -144.525
Dist. restrs. and SS energy: 3.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -2021.118831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.118831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.426112 (E_RNA)
where:
Base-Base interactions energy: -1372.014
where: short stacking energy: -574.393
Base-Backbone interact. energy: -1.423
local terms energy: -649.989054
where:
bonds (distance) C4'-P energy: -134.104
bonds (distance) P-C4' energy: -125.180
flat angles C4'-P-C4' energy: -150.494
flat angles P-C4'-P energy: -97.948
tors. eta vs tors. theta energy: -142.263
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: 3
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -1957.463903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.463903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.265817 (E_RNA)
where:
Base-Base interactions energy: -1315.227
where: short stacking energy: -558.088
Base-Backbone interact. energy: 2.674
local terms energy: -646.712450
where:
bonds (distance) C4'-P energy: -133.091
bonds (distance) P-C4' energy: -130.743
flat angles C4'-P-C4' energy: -133.720
flat angles P-C4'-P energy: -100.388
tors. eta vs tors. theta energy: -148.771
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: 10, replica: 1
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -1871.095099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.095099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.897079 (E_RNA)
where:
Base-Base interactions energy: -1297.309
where: short stacking energy: -564.886
Base-Backbone interact. energy: 6.435
local terms energy: -583.022973
where:
bonds (distance) C4'-P energy: -132.301
bonds (distance) P-C4' energy: -123.303
flat angles C4'-P-C4' energy: -110.465
flat angles P-C4'-P energy: -80.710
tors. eta vs tors. theta energy: -136.244
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: 10
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -2808.119765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.119765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.534384 (E_RNA)
where:
Base-Base interactions energy: -1908.735
where: short stacking energy: -824.997
Base-Backbone interact. energy: -2.537
local terms energy: -898.263000
where:
bonds (distance) C4'-P energy: -157.229
bonds (distance) P-C4' energy: -170.843
flat angles C4'-P-C4' energy: -187.864
flat angles P-C4'-P energy: -141.491
tors. eta vs tors. theta energy: -240.836
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: 2, replica: 9
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -2754.775082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.775082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.662348 (E_RNA)
where:
Base-Base interactions energy: -1907.604
where: short stacking energy: -808.386
Base-Backbone interact. energy: 3.209
local terms energy: -852.267181
where:
bonds (distance) C4'-P energy: -158.968
bonds (distance) P-C4' energy: -166.124
flat angles C4'-P-C4' energy: -183.287
flat angles P-C4'-P energy: -113.509
tors. eta vs tors. theta energy: -230.380
Dist. restrs. and SS energy: 1.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -2619.640111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.640111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.225531 (E_RNA)
where:
Base-Base interactions energy: -1766.850
where: short stacking energy: -736.359
Base-Backbone interact. energy: -0.745
local terms energy: -853.631497
where:
bonds (distance) C4'-P energy: -158.963
bonds (distance) P-C4' energy: -172.520
flat angles C4'-P-C4' energy: -167.196
flat angles P-C4'-P energy: -127.322
tors. eta vs tors. theta energy: -227.630
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: 4, replica: 4
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -2393.513865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.513865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.710145 (E_RNA)
where:
Base-Base interactions energy: -1647.578
where: short stacking energy: -694.416
Base-Backbone interact. energy: 0.034
local terms energy: -747.165815
where:
bonds (distance) C4'-P energy: -148.210
bonds (distance) P-C4' energy: -135.225
flat angles C4'-P-C4' energy: -165.648
flat angles P-C4'-P energy: -105.536
tors. eta vs tors. theta energy: -192.547
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: 7
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -2353.873369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.873369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.331887 (E_RNA)
where:
Base-Base interactions energy: -1594.809
where: short stacking energy: -714.257
Base-Backbone interact. energy: 1.348
local terms energy: -761.871416
where:
bonds (distance) C4'-P energy: -136.906
bonds (distance) P-C4' energy: -146.579
flat angles C4'-P-C4' energy: -176.362
flat angles P-C4'-P energy: -103.093
tors. eta vs tors. theta energy: -198.932
Dist. restrs. and SS energy: 1.459 (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: 8
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -2176.238200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.238200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.727827 (E_RNA)
where:
Base-Base interactions energy: -1457.314
where: short stacking energy: -614.684
Base-Backbone interact. energy: -4.857
local terms energy: -716.555850
where:
bonds (distance) C4'-P energy: -149.194
bonds (distance) P-C4' energy: -155.805
flat angles C4'-P-C4' energy: -155.828
flat angles P-C4'-P energy: -107.249
tors. eta vs tors. theta energy: -148.479
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: 7, replica: 6
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -2115.553515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.553515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.816413 (E_RNA)
where:
Base-Base interactions energy: -1405.969
where: short stacking energy: -618.134
Base-Backbone interact. energy: 1.880
local terms energy: -713.727560
where:
bonds (distance) C4'-P energy: -148.804
bonds (distance) P-C4' energy: -158.223
flat angles C4'-P-C4' energy: -131.894
flat angles P-C4'-P energy: -95.178
tors. eta vs tors. theta energy: -179.629
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: 8, replica: 5
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -2055.183011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.183011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.837893 (E_RNA)
where:
Base-Base interactions energy: -1363.496
where: short stacking energy: -553.016
Base-Backbone interact. energy: 1.136
local terms energy: -694.477925
where:
bonds (distance) C4'-P energy: -140.137
bonds (distance) P-C4' energy: -152.025
flat angles C4'-P-C4' energy: -147.729
flat angles P-C4'-P energy: -97.444
tors. eta vs tors. theta energy: -157.144
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: 9, replica: 3
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -1954.989616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.989616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.317007 (E_RNA)
where:
Base-Base interactions energy: -1366.058
where: short stacking energy: -549.150
Base-Backbone interact. energy: 2.752
local terms energy: -594.010503
where:
bonds (distance) C4'-P energy: -128.133
bonds (distance) P-C4' energy: -131.573
flat angles C4'-P-C4' energy: -115.986
flat angles P-C4'-P energy: -78.291
tors. eta vs tors. theta energy: -140.027
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: 10, replica: 1
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -1823.166484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.166484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.726084 (E_RNA)
where:
Base-Base interactions energy: -1236.856
where: short stacking energy: -544.046
Base-Backbone interact. energy: 3.320
local terms energy: -593.190626
where:
bonds (distance) C4'-P energy: -122.497
bonds (distance) P-C4' energy: -120.882
flat angles C4'-P-C4' energy: -135.721
flat angles P-C4'-P energy: -80.274
tors. eta vs tors. theta energy: -133.816
Dist. restrs. and SS energy: 3.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -2840.111557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.111557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2841.341309 (E_RNA)
where:
Base-Base interactions energy: -1957.074
where: short stacking energy: -829.743
Base-Backbone interact. energy: 3.903
local terms energy: -888.169776
where:
bonds (distance) C4'-P energy: -165.085
bonds (distance) P-C4' energy: -169.235
flat angles C4'-P-C4' energy: -185.008
flat angles P-C4'-P energy: -122.776
tors. eta vs tors. theta energy: -246.067
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: 2, replica: 10
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -2735.627596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.627596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.265916 (E_RNA)
where:
Base-Base interactions energy: -1868.321
where: short stacking energy: -815.100
Base-Backbone interact. energy: -2.931
local terms energy: -866.014108
where:
bonds (distance) C4'-P energy: -161.663
bonds (distance) P-C4' energy: -147.626
flat angles C4'-P-C4' energy: -193.676
flat angles P-C4'-P energy: -121.622
tors. eta vs tors. theta energy: -241.428
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: 2
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -2655.760044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.760044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.702818 (E_RNA)
where:
Base-Base interactions energy: -1835.639
where: short stacking energy: -754.072
Base-Backbone interact. energy: 2.001
local terms energy: -825.065229
where:
bonds (distance) C4'-P energy: -139.327
bonds (distance) P-C4' energy: -169.666
flat angles C4'-P-C4' energy: -179.891
flat angles P-C4'-P energy: -108.756
tors. eta vs tors. theta energy: -227.426
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: 4, replica: 4
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -2442.333515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.333515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.104340 (E_RNA)
where:
Base-Base interactions energy: -1673.814
where: short stacking energy: -725.445
Base-Backbone interact. energy: 4.376
local terms energy: -774.666705
where:
bonds (distance) C4'-P energy: -123.066
bonds (distance) P-C4' energy: -155.161
flat angles C4'-P-C4' energy: -166.685
flat angles P-C4'-P energy: -123.996
tors. eta vs tors. theta energy: -205.760
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: 5, replica: 7
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -2358.554351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.554351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.115437 (E_RNA)
where:
Base-Base interactions energy: -1615.473
where: short stacking energy: -690.134
Base-Backbone interact. energy: -0.577
local terms energy: -744.064723
where:
bonds (distance) C4'-P energy: -140.450
bonds (distance) P-C4' energy: -141.655
flat angles C4'-P-C4' energy: -169.403
flat angles P-C4'-P energy: -102.155
tors. eta vs tors. theta energy: -190.402
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: 6, replica: 8
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -2149.527986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.527986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.835787 (E_RNA)
where:
Base-Base interactions energy: -1454.526
where: short stacking energy: -623.996
Base-Backbone interact. energy: -2.650
local terms energy: -695.660126
where:
bonds (distance) C4'-P energy: -136.869
bonds (distance) P-C4' energy: -150.786
flat angles C4'-P-C4' energy: -146.561
flat angles P-C4'-P energy: -96.081
tors. eta vs tors. theta energy: -165.363
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: 6
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -2105.535205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.535205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.695353 (E_RNA)
where:
Base-Base interactions energy: -1407.262
where: short stacking energy: -598.155
Base-Backbone interact. energy: -0.899
local terms energy: -700.534055
where:
bonds (distance) C4'-P energy: -133.048
bonds (distance) P-C4' energy: -137.990
flat angles C4'-P-C4' energy: -161.623
flat angles P-C4'-P energy: -86.678
tors. eta vs tors. theta energy: -181.195
Dist. restrs. and SS energy: 3.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -2003.398595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.398595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.164921 (E_RNA)
where:
Base-Base interactions energy: -1353.425
where: short stacking energy: -588.757
Base-Backbone interact. energy: -3.077
local terms energy: -654.662648
where:
bonds (distance) C4'-P energy: -133.061
bonds (distance) P-C4' energy: -119.683
flat angles C4'-P-C4' energy: -142.469
flat angles P-C4'-P energy: -105.762
tors. eta vs tors. theta energy: -153.687
Dist. restrs. and SS energy: 7.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -1968.836452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.836452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.273029 (E_RNA)
where:
Base-Base interactions energy: -1361.862
where: short stacking energy: -550.872
Base-Backbone interact. energy: 0.064
local terms energy: -609.474936
where:
bonds (distance) C4'-P energy: -120.480
bonds (distance) P-C4' energy: -136.508
flat angles C4'-P-C4' energy: -125.083
flat angles P-C4'-P energy: -80.319
tors. eta vs tors. theta energy: -147.084
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: 1
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -1861.137037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.137037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.603056 (E_RNA)
where:
Base-Base interactions energy: -1270.979
where: short stacking energy: -504.894
Base-Backbone interact. energy: -1.971
local terms energy: -592.653132
where:
bonds (distance) C4'-P energy: -124.855
bonds (distance) P-C4' energy: -130.075
flat angles C4'-P-C4' energy: -130.819
flat angles P-C4'-P energy: -77.054
tors. eta vs tors. theta energy: -129.850
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: 1, replica: 9
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -2873.505485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2873.505485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2874.263681 (E_RNA)
where:
Base-Base interactions energy: -1968.050
where: short stacking energy: -866.835
Base-Backbone interact. energy: -3.794
local terms energy: -902.419701
where:
bonds (distance) C4'-P energy: -161.490
bonds (distance) P-C4' energy: -166.494
flat angles C4'-P-C4' energy: -194.256
flat angles P-C4'-P energy: -121.604
tors. eta vs tors. theta energy: -258.576
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: 2
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -2744.474458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.474458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.100330 (E_RNA)
where:
Base-Base interactions energy: -1877.531
where: short stacking energy: -802.161
Base-Backbone interact. energy: -1.410
local terms energy: -869.159511
where:
bonds (distance) C4'-P energy: -155.146
bonds (distance) P-C4' energy: -166.957
flat angles C4'-P-C4' energy: -179.069
flat angles P-C4'-P energy: -132.210
tors. eta vs tors. theta energy: -235.778
Dist. restrs. and SS energy: 3.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -2639.432814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.432814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.411061 (E_RNA)
where:
Base-Base interactions energy: -1808.168
where: short stacking energy: -780.084
Base-Backbone interact. energy: -0.603
local terms energy: -832.639683
where:
bonds (distance) C4'-P energy: -141.737
bonds (distance) P-C4' energy: -156.639
flat angles C4'-P-C4' energy: -189.924
flat angles P-C4'-P energy: -122.213
tors. eta vs tors. theta energy: -222.126
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: 4
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -2455.758388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.758388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.814044 (E_RNA)
where:
Base-Base interactions energy: -1671.577
where: short stacking energy: -717.436
Base-Backbone interact. energy: -0.657
local terms energy: -785.579972
where:
bonds (distance) C4'-P energy: -147.916
bonds (distance) P-C4' energy: -142.921
flat angles C4'-P-C4' energy: -159.640
flat angles P-C4'-P energy: -109.249
tors. eta vs tors. theta energy: -225.854
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: 5, replica: 7
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -2349.125123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.125123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.315777 (E_RNA)
where:
Base-Base interactions energy: -1605.520
where: short stacking energy: -686.299
Base-Backbone interact. energy: -2.301
local terms energy: -743.495298
where:
bonds (distance) C4'-P energy: -131.644
bonds (distance) P-C4' energy: -131.644
flat angles C4'-P-C4' energy: -170.645
flat angles P-C4'-P energy: -116.599
tors. eta vs tors. theta energy: -192.965
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: 6, replica: 8
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -2183.410048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.410048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.169643 (E_RNA)
where:
Base-Base interactions energy: -1462.675
where: short stacking energy: -635.761
Base-Backbone interact. energy: -1.724
local terms energy: -721.770733
where:
bonds (distance) C4'-P energy: -152.256
bonds (distance) P-C4' energy: -153.505
flat angles C4'-P-C4' energy: -147.903
flat angles P-C4'-P energy: -114.946
tors. eta vs tors. theta energy: -153.160
Dist. restrs. and SS energy: 2.760 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -2086.384659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.384659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.211452 (E_RNA)
where:
Base-Base interactions energy: -1400.844
where: short stacking energy: -594.895
Base-Backbone interact. energy: 1.224
local terms energy: -689.591546
where:
bonds (distance) C4'-P energy: -149.655
bonds (distance) P-C4' energy: -135.934
flat angles C4'-P-C4' energy: -145.537
flat angles P-C4'-P energy: -102.359
tors. eta vs tors. theta energy: -156.107
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: 8, replica: 3
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -2023.546907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.546907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.997494 (E_RNA)
where:
Base-Base interactions energy: -1369.098
where: short stacking energy: -566.449
Base-Backbone interact. energy: 6.504
local terms energy: -663.403355
where:
bonds (distance) C4'-P energy: -145.545
bonds (distance) P-C4' energy: -136.713
flat angles C4'-P-C4' energy: -146.498
flat angles P-C4'-P energy: -82.306
tors. eta vs tors. theta energy: -152.341
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: 9, replica: 5
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -1910.330345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.330345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.881630 (E_RNA)
where:
Base-Base interactions energy: -1289.939
where: short stacking energy: -537.889
Base-Backbone interact. energy: -1.131
local terms energy: -625.811371
where:
bonds (distance) C4'-P energy: -129.753
bonds (distance) P-C4' energy: -131.210
flat angles C4'-P-C4' energy: -141.411
flat angles P-C4'-P energy: -89.455
tors. eta vs tors. theta energy: -133.983
Dist. restrs. and SS energy: 6.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -1912.002182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.002182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.360918 (E_RNA)
where:
Base-Base interactions energy: -1287.031
where: short stacking energy: -560.273
Base-Backbone interact. energy: 0.789
local terms energy: -629.118310
where:
bonds (distance) C4'-P energy: -116.445
bonds (distance) P-C4' energy: -128.455
flat angles C4'-P-C4' energy: -148.323
flat angles P-C4'-P energy: -83.538
tors. eta vs tors. theta energy: -152.358
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: 1, replica: 9
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -2864.432614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2864.432614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2865.461260 (E_RNA)
where:
Base-Base interactions energy: -1943.496
where: short stacking energy: -841.899
Base-Backbone interact. energy: -4.730
local terms energy: -917.235216
where:
bonds (distance) C4'-P energy: -169.002
bonds (distance) P-C4' energy: -167.331
flat angles C4'-P-C4' energy: -187.160
flat angles P-C4'-P energy: -133.598
tors. eta vs tors. theta energy: -260.144
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: 2, replica: 2
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -2756.306345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.306345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.117118 (E_RNA)
where:
Base-Base interactions energy: -1921.474
where: short stacking energy: -820.855
Base-Backbone interact. energy: 1.070
local terms energy: -839.713026
where:
bonds (distance) C4'-P energy: -146.127
bonds (distance) P-C4' energy: -144.231
flat angles C4'-P-C4' energy: -177.262
flat angles P-C4'-P energy: -124.508
tors. eta vs tors. theta energy: -247.585
Dist. restrs. and SS energy: 3.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -2630.901465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.901465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.293635 (E_RNA)
where:
Base-Base interactions energy: -1818.980
where: short stacking energy: -772.263
Base-Backbone interact. energy: -5.026
local terms energy: -808.287748
where:
bonds (distance) C4'-P energy: -148.910
bonds (distance) P-C4' energy: -142.490
flat angles C4'-P-C4' energy: -173.442
flat angles P-C4'-P energy: -119.799
tors. eta vs tors. theta energy: -223.647
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: 4, replica: 4
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -2455.772861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.772861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.253896 (E_RNA)
where:
Base-Base interactions energy: -1648.314
where: short stacking energy: -736.040
Base-Backbone interact. energy: -2.399
local terms energy: -806.540450
where:
bonds (distance) C4'-P energy: -145.109
bonds (distance) P-C4' energy: -156.413
flat angles C4'-P-C4' energy: -171.127
flat angles P-C4'-P energy: -112.494
tors. eta vs tors. theta energy: -221.398
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: 7
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -2337.143652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.143652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.168655 (E_RNA)
where:
Base-Base interactions energy: -1602.189
where: short stacking energy: -658.319
Base-Backbone interact. energy: -1.093
local terms energy: -736.886336
where:
bonds (distance) C4'-P energy: -131.288
bonds (distance) P-C4' energy: -144.659
flat angles C4'-P-C4' energy: -173.352
flat angles P-C4'-P energy: -97.376
tors. eta vs tors. theta energy: -190.211
Dist. restrs. and SS energy: 3.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -2164.417081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.417081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.966189 (E_RNA)
where:
Base-Base interactions energy: -1451.710
where: short stacking energy: -636.917
Base-Backbone interact. energy: 4.340
local terms energy: -719.595751
where:
bonds (distance) C4'-P energy: -135.115
bonds (distance) P-C4' energy: -154.367
flat angles C4'-P-C4' energy: -166.254
flat angles P-C4'-P energy: -98.765
tors. eta vs tors. theta energy: -165.095
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: 7, replica: 6
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -2069.855936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.855936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.188311 (E_RNA)
where:
Base-Base interactions energy: -1411.381
where: short stacking energy: -619.263
Base-Backbone interact. energy: 11.764
local terms energy: -671.571436
where:
bonds (distance) C4'-P energy: -122.665
bonds (distance) P-C4' energy: -143.062
flat angles C4'-P-C4' energy: -153.026
flat angles P-C4'-P energy: -98.184
tors. eta vs tors. theta energy: -154.635
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: 8, replica: 3
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -2011.019137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.019137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.752073 (E_RNA)
where:
Base-Base interactions energy: -1359.724
where: short stacking energy: -592.151
Base-Backbone interact. energy: -1.087
local terms energy: -651.940981
where:
bonds (distance) C4'-P energy: -108.738
bonds (distance) P-C4' energy: -135.160
flat angles C4'-P-C4' energy: -156.968
flat angles P-C4'-P energy: -91.282
tors. eta vs tors. theta energy: -159.794
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: 9, replica: 1
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -1954.444147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.444147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.462738 (E_RNA)
where:
Base-Base interactions energy: -1336.924
where: short stacking energy: -552.442
Base-Backbone interact. energy: 10.467
local terms energy: -630.006116
where:
bonds (distance) C4'-P energy: -130.720
bonds (distance) P-C4' energy: -134.379
flat angles C4'-P-C4' energy: -138.563
flat angles P-C4'-P energy: -85.914
tors. eta vs tors. theta energy: -140.430
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: 10, replica: 5
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -1854.306618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.306618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.516798 (E_RNA)
where:
Base-Base interactions energy: -1270.710
where: short stacking energy: -542.040
Base-Backbone interact. energy: -4.005
local terms energy: -581.801313
where:
bonds (distance) C4'-P energy: -119.077
bonds (distance) P-C4' energy: -128.213
flat angles C4'-P-C4' energy: -143.788
flat angles P-C4'-P energy: -51.986
tors. eta vs tors. theta energy: -138.737
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: 1, replica: 9
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -2850.759449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2850.759449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2852.379944 (E_RNA)
where:
Base-Base interactions energy: -1952.845
where: short stacking energy: -853.578
Base-Backbone interact. energy: -7.433
local terms energy: -892.101997
where:
bonds (distance) C4'-P energy: -171.163
bonds (distance) P-C4' energy: -165.634
flat angles C4'-P-C4' energy: -172.580
flat angles P-C4'-P energy: -123.110
tors. eta vs tors. theta energy: -259.615
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: 2, replica: 2
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -2709.264503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.264503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.085327 (E_RNA)
where:
Base-Base interactions energy: -1874.965
where: short stacking energy: -787.708
Base-Backbone interact. energy: -2.624
local terms energy: -836.496202
where:
bonds (distance) C4'-P energy: -145.342
bonds (distance) P-C4' energy: -158.887
flat angles C4'-P-C4' energy: -177.953
flat angles P-C4'-P energy: -117.632
tors. eta vs tors. theta energy: -236.682
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: 3, replica: 10
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -2623.732467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.732467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.973909 (E_RNA)
where:
Base-Base interactions energy: -1804.381
where: short stacking energy: -758.033
Base-Backbone interact. energy: 2.023
local terms energy: -822.615326
where:
bonds (distance) C4'-P energy: -161.706
bonds (distance) P-C4' energy: -143.509
flat angles C4'-P-C4' energy: -173.139
flat angles P-C4'-P energy: -120.444
tors. eta vs tors. theta energy: -223.817
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: 4, replica: 4
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -2435.232327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.232327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.626259 (E_RNA)
where:
Base-Base interactions energy: -1668.666
where: short stacking energy: -708.305
Base-Backbone interact. energy: 1.930
local terms energy: -770.890633
where:
bonds (distance) C4'-P energy: -133.333
bonds (distance) P-C4' energy: -156.573
flat angles C4'-P-C4' energy: -170.822
flat angles P-C4'-P energy: -102.802
tors. eta vs tors. theta energy: -207.360
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: 5, replica: 7
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -2363.964153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.964153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.277345 (E_RNA)
where:
Base-Base interactions energy: -1602.985
where: short stacking energy: -671.669
Base-Backbone interact. energy: 8.505
local terms energy: -770.797939
where:
bonds (distance) C4'-P energy: -151.476
bonds (distance) P-C4' energy: -152.623
flat angles C4'-P-C4' energy: -165.498
flat angles P-C4'-P energy: -103.861
tors. eta vs tors. theta energy: -197.340
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: 6, replica: 8
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -2210.491062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.491062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.648247 (E_RNA)
where:
Base-Base interactions energy: -1513.567
where: short stacking energy: -644.839
Base-Backbone interact. energy: 2.811
local terms energy: -700.892986
where:
bonds (distance) C4'-P energy: -124.089
bonds (distance) P-C4' energy: -134.874
flat angles C4'-P-C4' energy: -148.923
flat angles P-C4'-P energy: -114.559
tors. eta vs tors. theta energy: -178.449
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: 7, replica: 6
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -2063.676097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.676097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.222761 (E_RNA)
where:
Base-Base interactions energy: -1361.007
where: short stacking energy: -573.835
Base-Backbone interact. energy: 4.839
local terms energy: -709.054741
where:
bonds (distance) C4'-P energy: -138.906
bonds (distance) P-C4' energy: -153.274
flat angles C4'-P-C4' energy: -158.694
flat angles P-C4'-P energy: -110.337
tors. eta vs tors. theta energy: -147.844
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: 1
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -2017.915915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.915915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.875050 (E_RNA)
where:
Base-Base interactions energy: -1404.023
where: short stacking energy: -589.657
Base-Backbone interact. energy: 8.426
local terms energy: -624.278539
where:
bonds (distance) C4'-P energy: -130.718
bonds (distance) P-C4' energy: -119.528
flat angles C4'-P-C4' energy: -140.958
flat angles P-C4'-P energy: -81.297
tors. eta vs tors. theta energy: -151.777
Dist. restrs. and SS energy: 1.959 (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: 3
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -2004.434818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.434818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.504620 (E_RNA)
where:
Base-Base interactions energy: -1358.599
where: short stacking energy: -562.181
Base-Backbone interact. energy: -2.577
local terms energy: -645.328802
where:
bonds (distance) C4'-P energy: -132.654
bonds (distance) P-C4' energy: -142.505
flat angles C4'-P-C4' energy: -142.422
flat angles P-C4'-P energy: -97.534
tors. eta vs tors. theta energy: -130.213
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: 10, replica: 5
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -1863.669089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.669089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.252492 (E_RNA)
where:
Base-Base interactions energy: -1253.928
where: short stacking energy: -550.727
Base-Backbone interact. energy: 4.269
local terms energy: -620.593102
where:
bonds (distance) C4'-P energy: -118.783
bonds (distance) P-C4' energy: -140.497
flat angles C4'-P-C4' energy: -141.960
flat angles P-C4'-P energy: -76.567
tors. eta vs tors. theta energy: -142.787
Dist. restrs. and SS energy: 6.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -2851.284924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2851.284924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2852.839151 (E_RNA)
where:
Base-Base interactions energy: -1971.267
where: short stacking energy: -840.451
Base-Backbone interact. energy: -3.107
local terms energy: -878.464928
where:
bonds (distance) C4'-P energy: -146.777
bonds (distance) P-C4' energy: -167.611
flat angles C4'-P-C4' energy: -194.373
flat angles P-C4'-P energy: -121.804
tors. eta vs tors. theta energy: -247.899
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: 2, replica: 2
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -2707.882380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.882380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.614898 (E_RNA)
where:
Base-Base interactions energy: -1834.349
where: short stacking energy: -805.373
Base-Backbone interact. energy: -1.335
local terms energy: -875.930572
where:
bonds (distance) C4'-P energy: -150.251
bonds (distance) P-C4' energy: -176.489
flat angles C4'-P-C4' energy: -179.538
flat angles P-C4'-P energy: -130.271
tors. eta vs tors. theta energy: -239.382
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: 10
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -2678.063641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.063641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.458742 (E_RNA)
where:
Base-Base interactions energy: -1832.363
where: short stacking energy: -805.797
Base-Backbone interact. energy: -3.645
local terms energy: -843.450252
where:
bonds (distance) C4'-P energy: -157.276
bonds (distance) P-C4' energy: -157.497
flat angles C4'-P-C4' energy: -177.100
flat angles P-C4'-P energy: -118.144
tors. eta vs tors. theta energy: -233.434
Dist. restrs. and SS energy: 1.395 (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: 4
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -2468.401069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.401069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.913582 (E_RNA)
where:
Base-Base interactions energy: -1679.892
where: short stacking energy: -720.271
Base-Backbone interact. energy: -1.521
local terms energy: -788.500474
where:
bonds (distance) C4'-P energy: -135.354
bonds (distance) P-C4' energy: -146.831
flat angles C4'-P-C4' energy: -177.924
flat angles P-C4'-P energy: -126.421
tors. eta vs tors. theta energy: -201.970
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: 5, replica: 7
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -2382.214056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.214056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.101074 (E_RNA)
where:
Base-Base interactions energy: -1623.604
where: short stacking energy: -711.178
Base-Backbone interact. energy: -2.198
local terms energy: -758.299851
where:
bonds (distance) C4'-P energy: -127.015
bonds (distance) P-C4' energy: -149.574
flat angles C4'-P-C4' energy: -161.084
flat angles P-C4'-P energy: -102.987
tors. eta vs tors. theta energy: -217.640
Dist. restrs. and SS energy: 1.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -2179.523393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.523393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.129345 (E_RNA)
where:
Base-Base interactions energy: -1475.394
where: short stacking energy: -642.464
Base-Backbone interact. energy: -2.913
local terms energy: -703.822265
where:
bonds (distance) C4'-P energy: -131.049
bonds (distance) P-C4' energy: -138.822
flat angles C4'-P-C4' energy: -159.791
flat angles P-C4'-P energy: -107.580
tors. eta vs tors. theta energy: -166.581
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: 6
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -2073.999811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.999811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.443564 (E_RNA)
where:
Base-Base interactions energy: -1419.448
where: short stacking energy: -606.879
Base-Backbone interact. energy: -0.484
local terms energy: -656.512225
where:
bonds (distance) C4'-P energy: -127.119
bonds (distance) P-C4' energy: -124.878
flat angles C4'-P-C4' energy: -152.480
flat angles P-C4'-P energy: -82.786
tors. eta vs tors. theta energy: -169.248
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: 8, replica: 1
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -1992.033966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.033966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.287367 (E_RNA)
where:
Base-Base interactions energy: -1368.470
where: short stacking energy: -599.302
Base-Backbone interact. energy: -3.756
local terms energy: -626.061303
where:
bonds (distance) C4'-P energy: -107.015
bonds (distance) P-C4' energy: -132.086
flat angles C4'-P-C4' energy: -133.678
flat angles P-C4'-P energy: -96.519
tors. eta vs tors. theta energy: -156.763
Dist. restrs. and SS energy: 6.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -1967.479294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.479294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.032148 (E_RNA)
where:
Base-Base interactions energy: -1331.641
where: short stacking energy: -580.308
Base-Backbone interact. energy: -3.603
local terms energy: -636.787644
where:
bonds (distance) C4'-P energy: -128.712
bonds (distance) P-C4' energy: -125.851
flat angles C4'-P-C4' energy: -154.948
flat angles P-C4'-P energy: -81.791
tors. eta vs tors. theta energy: -145.487
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: 10, replica: 5
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -1815.213105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.213105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.720657 (E_RNA)
where:
Base-Base interactions energy: -1214.589
where: short stacking energy: -525.942
Base-Backbone interact. energy: 0.612
local terms energy: -605.743618
where:
bonds (distance) C4'-P energy: -146.208
bonds (distance) P-C4' energy: -129.373
flat angles C4'-P-C4' energy: -137.613
flat angles P-C4'-P energy: -76.184
tors. eta vs tors. theta energy: -116.366
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: 207
Temperature: 0.900000
Total energy: -2851.840210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2851.840210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2853.218982 (E_RNA)
where:
Base-Base interactions energy: -1951.489
where: short stacking energy: -822.090
Base-Backbone interact. energy: -2.814
local terms energy: -898.916575
where:
bonds (distance) C4'-P energy: -162.760
bonds (distance) P-C4' energy: -168.258
flat angles C4'-P-C4' energy: -187.943
flat angles P-C4'-P energy: -131.755
tors. eta vs tors. theta energy: -248.201
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: 2, replica: 2
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -2724.630720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.630720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.304943 (E_RNA)
where:
Base-Base interactions energy: -1902.345
where: short stacking energy: -814.939
Base-Backbone interact. energy: -1.164
local terms energy: -823.796496
where:
bonds (distance) C4'-P energy: -146.414
bonds (distance) P-C4' energy: -143.271
flat angles C4'-P-C4' energy: -178.298
flat angles P-C4'-P energy: -122.036
tors. eta vs tors. theta energy: -233.777
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: 3, replica: 10
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -2651.910759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.910759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.392719 (E_RNA)
where:
Base-Base interactions energy: -1795.778
where: short stacking energy: -770.353
Base-Backbone interact. energy: -3.512
local terms energy: -854.101895
where:
bonds (distance) C4'-P energy: -157.839
bonds (distance) P-C4' energy: -164.069
flat angles C4'-P-C4' energy: -185.007
flat angles P-C4'-P energy: -112.768
tors. eta vs tors. theta energy: -234.418
Dist. restrs. and SS energy: 1.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -2453.642358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.642358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.643353 (E_RNA)
where:
Base-Base interactions energy: -1652.991
where: short stacking energy: -705.158
Base-Backbone interact. energy: -2.399
local terms energy: -800.254118
where:
bonds (distance) C4'-P energy: -152.191
bonds (distance) P-C4' energy: -157.325
flat angles C4'-P-C4' energy: -160.375
flat angles P-C4'-P energy: -110.575
tors. eta vs tors. theta energy: -219.789
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: 5, replica: 7
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -2384.577644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.577644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.531577 (E_RNA)
where:
Base-Base interactions energy: -1623.429
where: short stacking energy: -702.785
Base-Backbone interact. energy: -1.979
local terms energy: -762.123614
where:
bonds (distance) C4'-P energy: -140.399
bonds (distance) P-C4' energy: -137.599
flat angles C4'-P-C4' energy: -182.575
flat angles P-C4'-P energy: -103.729
tors. eta vs tors. theta energy: -197.822
Dist. restrs. and SS energy: 2.954 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -2193.618153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.618153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.527660 (E_RNA)
where:
Base-Base interactions energy: -1452.877
where: short stacking energy: -637.202
Base-Backbone interact. energy: -0.132
local terms energy: -742.518078
where:
bonds (distance) C4'-P energy: -142.401
bonds (distance) P-C4' energy: -135.224
flat angles C4'-P-C4' energy: -169.029
flat angles P-C4'-P energy: -113.176
tors. eta vs tors. theta energy: -182.688
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: 7, replica: 6
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -2030.986077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.986077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.043424 (E_RNA)
where:
Base-Base interactions energy: -1402.877
where: short stacking energy: -598.069
Base-Backbone interact. energy: 0.310
local terms energy: -631.476487
where:
bonds (distance) C4'-P energy: -108.123
bonds (distance) P-C4' energy: -124.824
flat angles C4'-P-C4' energy: -156.618
flat angles P-C4'-P energy: -102.037
tors. eta vs tors. theta energy: -139.875
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: 8, replica: 1
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -1984.612358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.612358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.233148 (E_RNA)
where:
Base-Base interactions energy: -1323.162
where: short stacking energy: -555.245
Base-Backbone interact. energy: 1.086
local terms energy: -666.156422
where:
bonds (distance) C4'-P energy: -125.593
bonds (distance) P-C4' energy: -145.028
flat angles C4'-P-C4' energy: -150.686
flat angles P-C4'-P energy: -91.780
tors. eta vs tors. theta energy: -153.069
Dist. restrs. and SS energy: 3.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -1960.352480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.352480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.040444 (E_RNA)
where:
Base-Base interactions energy: -1279.649
where: short stacking energy: -526.582
Base-Backbone interact. energy: -1.088
local terms energy: -681.303672
where:
bonds (distance) C4'-P energy: -148.187
bonds (distance) P-C4' energy: -155.569
flat angles C4'-P-C4' energy: -150.836
flat angles P-C4'-P energy: -94.331
tors. eta vs tors. theta energy: -132.381
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: 10, replica: 5
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -1814.451255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.451255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.431092 (E_RNA)
where:
Base-Base interactions energy: -1220.286
where: short stacking energy: -517.208
Base-Backbone interact. energy: 2.286
local terms energy: -604.430491
where:
bonds (distance) C4'-P energy: -141.207
bonds (distance) P-C4' energy: -123.097
flat angles C4'-P-C4' energy: -130.201
flat angles P-C4'-P energy: -79.992
tors. eta vs tors. theta energy: -129.932
Dist. restrs. and SS energy: 7.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -2882.844421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2882.844421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2884.122606 (E_RNA)
where:
Base-Base interactions energy: -1959.542
where: short stacking energy: -821.332
Base-Backbone interact. energy: -2.216
local terms energy: -922.364533
where:
bonds (distance) C4'-P energy: -164.827
bonds (distance) P-C4' energy: -178.616
flat angles C4'-P-C4' energy: -194.446
flat angles P-C4'-P energy: -128.839
tors. eta vs tors. theta energy: -255.636
Dist. restrs. and SS energy: 1.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -2756.731387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.731387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.661854 (E_RNA)
where:
Base-Base interactions energy: -1894.897
where: short stacking energy: -803.389
Base-Backbone interact. energy: 2.889
local terms energy: -865.653938
where:
bonds (distance) C4'-P energy: -158.461
bonds (distance) P-C4' energy: -158.111
flat angles C4'-P-C4' energy: -176.757
flat angles P-C4'-P energy: -138.018
tors. eta vs tors. theta energy: -234.307
Dist. restrs. and SS energy: 0.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -2647.970652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.970652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.614396 (E_RNA)
where:
Base-Base interactions energy: -1807.119
where: short stacking energy: -773.397
Base-Backbone interact. energy: -0.555
local terms energy: -841.939903
where:
bonds (distance) C4'-P energy: -158.508
bonds (distance) P-C4' energy: -151.953
flat angles C4'-P-C4' energy: -177.231
flat angles P-C4'-P energy: -124.594
tors. eta vs tors. theta energy: -229.654
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: 4, replica: 4
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -2463.283490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.283490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.210798 (E_RNA)
where:
Base-Base interactions energy: -1712.039
where: short stacking energy: -712.550
Base-Backbone interact. energy: -1.419
local terms energy: -750.753125
where:
bonds (distance) C4'-P energy: -144.002
bonds (distance) P-C4' energy: -126.681
flat angles C4'-P-C4' energy: -177.227
flat angles P-C4'-P energy: -112.069
tors. eta vs tors. theta energy: -190.774
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: 5, replica: 7
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -2356.232806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.232806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.644919 (E_RNA)
where:
Base-Base interactions energy: -1606.120
where: short stacking energy: -709.792
Base-Backbone interact. energy: -0.215
local terms energy: -752.310217
where:
bonds (distance) C4'-P energy: -145.599
bonds (distance) P-C4' energy: -143.733
flat angles C4'-P-C4' energy: -159.974
flat angles P-C4'-P energy: -108.715
tors. eta vs tors. theta energy: -194.289
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: 6, replica: 8
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -2145.608015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.608015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.374070 (E_RNA)
where:
Base-Base interactions energy: -1417.797
where: short stacking energy: -623.289
Base-Backbone interact. energy: -1.717
local terms energy: -730.860290
where:
bonds (distance) C4'-P energy: -140.347
bonds (distance) P-C4' energy: -165.254
flat angles C4'-P-C4' energy: -156.344
flat angles P-C4'-P energy: -101.344
tors. eta vs tors. theta energy: -167.571
Dist. restrs. and SS energy: 4.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -2016.659021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.659021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.204935 (E_RNA)
where:
Base-Base interactions energy: -1358.893
where: short stacking energy: -574.995
Base-Backbone interact. energy: -1.221
local terms energy: -658.091545
where:
bonds (distance) C4'-P energy: -119.679
bonds (distance) P-C4' energy: -122.359
flat angles C4'-P-C4' energy: -171.096
flat angles P-C4'-P energy: -92.894
tors. eta vs tors. theta energy: -152.063
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: 1
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -2012.714486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.714486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.641280 (E_RNA)
where:
Base-Base interactions energy: -1350.214
where: short stacking energy: -578.015
Base-Backbone interact. energy: -3.366
local terms energy: -664.061222
where:
bonds (distance) C4'-P energy: -129.540
bonds (distance) P-C4' energy: -143.389
flat angles C4'-P-C4' energy: -148.568
flat angles P-C4'-P energy: -74.609
tors. eta vs tors. theta energy: -167.957
Dist. restrs. and SS energy: 4.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -1958.464086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.464086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.610203 (E_RNA)
where:
Base-Base interactions energy: -1332.852
where: short stacking energy: -539.781
Base-Backbone interact. energy: -1.006
local terms energy: -626.752602
where:
bonds (distance) C4'-P energy: -135.861
bonds (distance) P-C4' energy: -137.731
flat angles C4'-P-C4' energy: -124.934
flat angles P-C4'-P energy: -88.885
tors. eta vs tors. theta energy: -139.341
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: 10, replica: 5
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -1866.399646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.399646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.683635 (E_RNA)
where:
Base-Base interactions energy: -1292.150
where: short stacking energy: -537.593
Base-Backbone interact. energy: -1.495
local terms energy: -577.038950
where:
bonds (distance) C4'-P energy: -117.632
bonds (distance) P-C4' energy: -123.055
flat angles C4'-P-C4' energy: -135.513
flat angles P-C4'-P energy: -64.647
tors. eta vs tors. theta energy: -136.192
Dist. restrs. and SS energy: 4.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -2891.371002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2891.371002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2892.659202 (E_RNA)
where:
Base-Base interactions energy: -1984.686
where: short stacking energy: -870.786
Base-Backbone interact. energy: -2.757
local terms energy: -905.216542
where:
bonds (distance) C4'-P energy: -157.625
bonds (distance) P-C4' energy: -168.141
flat angles C4'-P-C4' energy: -197.041
flat angles P-C4'-P energy: -131.858
tors. eta vs tors. theta energy: -250.552
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: 2, replica: 2
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -2732.605940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.605940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.955230 (E_RNA)
where:
Base-Base interactions energy: -1865.940
where: short stacking energy: -817.497
Base-Backbone interact. energy: -1.290
local terms energy: -867.724738
where:
bonds (distance) C4'-P energy: -163.749
bonds (distance) P-C4' energy: -163.780
flat angles C4'-P-C4' energy: -176.377
flat angles P-C4'-P energy: -119.966
tors. eta vs tors. theta energy: -243.852
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: 3, replica: 10
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -2655.063507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.063507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.152991 (E_RNA)
where:
Base-Base interactions energy: -1824.298
where: short stacking energy: -781.890
Base-Backbone interact. energy: -1.539
local terms energy: -831.316851
where:
bonds (distance) C4'-P energy: -159.331
bonds (distance) P-C4' energy: -158.669
flat angles C4'-P-C4' energy: -174.488
flat angles P-C4'-P energy: -117.384
tors. eta vs tors. theta energy: -221.445
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: 4, replica: 4
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -2473.350552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.350552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.783165 (E_RNA)
where:
Base-Base interactions energy: -1676.373
where: short stacking energy: -693.812
Base-Backbone interact. energy: -2.520
local terms energy: -795.890394
where:
bonds (distance) C4'-P energy: -154.177
bonds (distance) P-C4' energy: -154.502
flat angles C4'-P-C4' energy: -176.222
flat angles P-C4'-P energy: -104.916
tors. eta vs tors. theta energy: -206.074
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: 7
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -2346.682192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.682192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.835220 (E_RNA)
where:
Base-Base interactions energy: -1640.779
where: short stacking energy: -690.479
Base-Backbone interact. energy: -3.302
local terms energy: -704.754219
where:
bonds (distance) C4'-P energy: -132.618
bonds (distance) P-C4' energy: -139.873
flat angles C4'-P-C4' energy: -149.551
flat angles P-C4'-P energy: -95.241
tors. eta vs tors. theta energy: -187.472
Dist. restrs. and SS energy: 2.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -2172.171125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.171125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.961017 (E_RNA)
where:
Base-Base interactions energy: -1430.678
where: short stacking energy: -610.651
Base-Backbone interact. energy: -3.572
local terms energy: -740.710712
where:
bonds (distance) C4'-P energy: -156.676
bonds (distance) P-C4' energy: -144.114
flat angles C4'-P-C4' energy: -165.537
flat angles P-C4'-P energy: -103.554
tors. eta vs tors. theta energy: -170.831
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: 7, replica: 6
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -2049.984433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.984433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.530310 (E_RNA)
where:
Base-Base interactions energy: -1380.360
where: short stacking energy: -604.798
Base-Backbone interact. energy: 1.549
local terms energy: -673.719633
where:
bonds (distance) C4'-P energy: -143.744
bonds (distance) P-C4' energy: -125.884
flat angles C4'-P-C4' energy: -150.340
flat angles P-C4'-P energy: -84.362
tors. eta vs tors. theta energy: -169.390
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: 8, replica: 1
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -1995.019929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.019929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.340361 (E_RNA)
where:
Base-Base interactions energy: -1362.586
where: short stacking energy: -568.680
Base-Backbone interact. energy: -4.565
local terms energy: -631.190003
where:
bonds (distance) C4'-P energy: -129.682
bonds (distance) P-C4' energy: -138.216
flat angles C4'-P-C4' energy: -139.612
flat angles P-C4'-P energy: -77.733
tors. eta vs tors. theta energy: -145.947
Dist. restrs. and SS energy: 3.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -1952.702261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.702261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.141708 (E_RNA)
where:
Base-Base interactions energy: -1314.929
where: short stacking energy: -552.207
Base-Backbone interact. energy: -0.642
local terms energy: -640.570980
where:
bonds (distance) C4'-P energy: -119.612
bonds (distance) P-C4' energy: -131.535
flat angles C4'-P-C4' energy: -141.513
flat angles P-C4'-P energy: -95.469
tors. eta vs tors. theta energy: -152.442
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: 5
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -1817.690060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.690060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.218524 (E_RNA)
where:
Base-Base interactions energy: -1247.647
where: short stacking energy: -500.666
Base-Backbone interact. energy: -1.156
local terms energy: -573.415953
where:
bonds (distance) C4'-P energy: -118.759
bonds (distance) P-C4' energy: -113.126
flat angles C4'-P-C4' energy: -138.709
flat angles P-C4'-P energy: -67.003
tors. eta vs tors. theta energy: -135.819
Dist. restrs. and SS energy: 4.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -2876.039706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2876.039706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2879.159813 (E_RNA)
where:
Base-Base interactions energy: -1948.934
where: short stacking energy: -857.813
Base-Backbone interact. energy: -2.892
local terms energy: -927.334639
where:
bonds (distance) C4'-P energy: -165.783
bonds (distance) P-C4' energy: -176.019
flat angles C4'-P-C4' energy: -190.221
flat angles P-C4'-P energy: -128.141
tors. eta vs tors. theta energy: -267.171
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: 2, replica: 2
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -2716.835236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.835236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.655598 (E_RNA)
where:
Base-Base interactions energy: -1890.331
where: short stacking energy: -798.833
Base-Backbone interact. energy: -0.744
local terms energy: -829.580158
where:
bonds (distance) C4'-P energy: -163.743
bonds (distance) P-C4' energy: -158.391
flat angles C4'-P-C4' energy: -170.410
flat angles P-C4'-P energy: -104.884
tors. eta vs tors. theta energy: -232.153
Dist. restrs. and SS energy: 3.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -2626.195493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.195493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.734459 (E_RNA)
where:
Base-Base interactions energy: -1795.094
where: short stacking energy: -775.353
Base-Backbone interact. energy: -1.231
local terms energy: -831.409859
where:
bonds (distance) C4'-P energy: -141.552
bonds (distance) P-C4' energy: -150.846
flat angles C4'-P-C4' energy: -180.022
flat angles P-C4'-P energy: -134.006
tors. eta vs tors. theta energy: -224.984
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: 4, replica: 4
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -2442.549498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.549498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.710924 (E_RNA)
where:
Base-Base interactions energy: -1697.351
where: short stacking energy: -733.072
Base-Backbone interact. energy: -1.087
local terms energy: -747.272629
where:
bonds (distance) C4'-P energy: -125.811
bonds (distance) P-C4' energy: -154.841
flat angles C4'-P-C4' energy: -165.209
flat angles P-C4'-P energy: -95.163
tors. eta vs tors. theta energy: -206.248
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: 5, replica: 7
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -2333.076691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.076691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.846361 (E_RNA)
where:
Base-Base interactions energy: -1610.214
where: short stacking energy: -681.605
Base-Backbone interact. energy: 2.009
local terms energy: -727.641455
where:
bonds (distance) C4'-P energy: -145.115
bonds (distance) P-C4' energy: -157.102
flat angles C4'-P-C4' energy: -152.503
flat angles P-C4'-P energy: -96.118
tors. eta vs tors. theta energy: -176.803
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: 6, replica: 8
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -2165.911951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.911951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.606592 (E_RNA)
where:
Base-Base interactions energy: -1441.829
where: short stacking energy: -649.017
Base-Backbone interact. energy: -2.991
local terms energy: -723.786224
where:
bonds (distance) C4'-P energy: -134.696
bonds (distance) P-C4' energy: -145.040
flat angles C4'-P-C4' energy: -166.242
flat angles P-C4'-P energy: -97.968
tors. eta vs tors. theta energy: -179.840
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: 7, replica: 6
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -2067.490831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.490831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.853378 (E_RNA)
where:
Base-Base interactions energy: -1379.533
where: short stacking energy: -599.320
Base-Backbone interact. energy: -4.072
local terms energy: -686.248290
where:
bonds (distance) C4'-P energy: -144.116
bonds (distance) P-C4' energy: -118.087
flat angles C4'-P-C4' energy: -150.465
flat angles P-C4'-P energy: -108.450
tors. eta vs tors. theta energy: -165.130
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: 8, replica: 1
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -2021.712806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.712806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.510876 (E_RNA)
where:
Base-Base interactions energy: -1388.931
where: short stacking energy: -587.632
Base-Backbone interact. energy: 5.534
local terms energy: -641.114346
where:
bonds (distance) C4'-P energy: -132.905
bonds (distance) P-C4' energy: -128.083
flat angles C4'-P-C4' energy: -134.070
flat angles P-C4'-P energy: -96.730
tors. eta vs tors. theta energy: -149.327
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: 3
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -1959.251574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.251574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.220186 (E_RNA)
where:
Base-Base interactions energy: -1316.351
where: short stacking energy: -581.308
Base-Backbone interact. energy: 9.450
local terms energy: -655.319786
where:
bonds (distance) C4'-P energy: -100.126
bonds (distance) P-C4' energy: -129.369
flat angles C4'-P-C4' energy: -162.318
flat angles P-C4'-P energy: -105.696
tors. eta vs tors. theta energy: -157.811
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: 10, replica: 5
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -1850.235534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.235534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.085812 (E_RNA)
where:
Base-Base interactions energy: -1233.943
where: short stacking energy: -522.454
Base-Backbone interact. energy: 2.307
local terms energy: -624.448955
where:
bonds (distance) C4'-P energy: -131.854
bonds (distance) P-C4' energy: -115.535
flat angles C4'-P-C4' energy: -158.119
flat angles P-C4'-P energy: -87.117
tors. eta vs tors. theta energy: -131.824
Dist. restrs. and SS energy: 5.850 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -2838.810230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2838.810230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2840.924364 (E_RNA)
where:
Base-Base interactions energy: -1969.534
where: short stacking energy: -836.173
Base-Backbone interact. energy: -1.689
local terms energy: -869.700902
where:
bonds (distance) C4'-P energy: -161.960
bonds (distance) P-C4' energy: -142.164
flat angles C4'-P-C4' energy: -188.294
flat angles P-C4'-P energy: -118.748
tors. eta vs tors. theta energy: -258.535
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: 2
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -2758.583392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.583392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.079836 (E_RNA)
where:
Base-Base interactions energy: -1879.715
where: short stacking energy: -788.490
Base-Backbone interact. energy: -3.144
local terms energy: -878.220852
where:
bonds (distance) C4'-P energy: -158.030
bonds (distance) P-C4' energy: -149.115
flat angles C4'-P-C4' energy: -194.933
flat angles P-C4'-P energy: -143.170
tors. eta vs tors. theta energy: -232.972
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: 3, replica: 10
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -2651.003116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.003116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.931423 (E_RNA)
where:
Base-Base interactions energy: -1829.197
where: short stacking energy: -805.925
Base-Backbone interact. energy: -2.089
local terms energy: -821.645961
where:
bonds (distance) C4'-P energy: -146.693
bonds (distance) P-C4' energy: -131.478
flat angles C4'-P-C4' energy: -187.320
flat angles P-C4'-P energy: -117.444
tors. eta vs tors. theta energy: -238.711
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: 4, replica: 4
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -2458.149686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.149686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.264174 (E_RNA)
where:
Base-Base interactions energy: -1681.317
where: short stacking energy: -710.590
Base-Backbone interact. energy: 1.636
local terms energy: -780.583618
where:
bonds (distance) C4'-P energy: -126.305
bonds (distance) P-C4' energy: -166.072
flat angles C4'-P-C4' energy: -166.853
flat angles P-C4'-P energy: -117.823
tors. eta vs tors. theta energy: -203.531
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: 5, replica: 7
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -2371.394294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.394294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.437377 (E_RNA)
where:
Base-Base interactions energy: -1602.543
where: short stacking energy: -673.512
Base-Backbone interact. energy: -0.600
local terms energy: -770.294623
where:
bonds (distance) C4'-P energy: -138.369
bonds (distance) P-C4' energy: -162.684
flat angles C4'-P-C4' energy: -160.809
flat angles P-C4'-P energy: -126.951
tors. eta vs tors. theta energy: -181.483
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: 6, replica: 8
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -2133.561703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.561703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.901774 (E_RNA)
where:
Base-Base interactions energy: -1455.401
where: short stacking energy: -614.416
Base-Backbone interact. energy: -2.500
local terms energy: -678.000467
where:
bonds (distance) C4'-P energy: -140.433
bonds (distance) P-C4' energy: -137.170
flat angles C4'-P-C4' energy: -141.285
flat angles P-C4'-P energy: -101.546
tors. eta vs tors. theta energy: -157.567
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: 6
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -2070.967607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.967607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.999174 (E_RNA)
where:
Base-Base interactions energy: -1382.288
where: short stacking energy: -595.026
Base-Backbone interact. energy: -1.300
local terms energy: -688.411768
where:
bonds (distance) C4'-P energy: -127.243
bonds (distance) P-C4' energy: -140.843
flat angles C4'-P-C4' energy: -158.729
flat angles P-C4'-P energy: -103.269
tors. eta vs tors. theta energy: -158.328
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: 8, replica: 3
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -1953.828978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.828978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.030071 (E_RNA)
where:
Base-Base interactions energy: -1320.159
where: short stacking energy: -556.869
Base-Backbone interact. energy: 1.492
local terms energy: -638.362729
where:
bonds (distance) C4'-P energy: -140.342
bonds (distance) P-C4' energy: -115.965
flat angles C4'-P-C4' energy: -151.960
flat angles P-C4'-P energy: -70.534
tors. eta vs tors. theta energy: -159.561
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: 9, replica: 1
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -1969.225144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.225144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.762557 (E_RNA)
where:
Base-Base interactions energy: -1344.000
where: short stacking energy: -564.120
Base-Backbone interact. energy: 11.126
local terms energy: -640.888394
where:
bonds (distance) C4'-P energy: -125.562
bonds (distance) P-C4' energy: -118.835
flat angles C4'-P-C4' energy: -143.218
flat angles P-C4'-P energy: -94.226
tors. eta vs tors. theta energy: -159.047
Dist. restrs. and SS energy: 4.537 (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: 5
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -1921.303583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.303583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.593860 (E_RNA)
where:
Base-Base interactions energy: -1310.578
where: short stacking energy: -555.146
Base-Backbone interact. energy: -2.116
local terms energy: -611.899770
where:
bonds (distance) C4'-P energy: -116.927
bonds (distance) P-C4' energy: -135.362
flat angles C4'-P-C4' energy: -143.860
flat angles P-C4'-P energy: -73.738
tors. eta vs tors. theta energy: -142.012
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: 1, replica: 9
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -2834.464128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2834.464128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.725238 (E_RNA)
where:
Base-Base interactions energy: -1951.630
where: short stacking energy: -824.940
Base-Backbone interact. energy: -2.133
local terms energy: -881.962352
where:
bonds (distance) C4'-P energy: -153.946
bonds (distance) P-C4' energy: -161.352
flat angles C4'-P-C4' energy: -184.752
flat angles P-C4'-P energy: -127.038
tors. eta vs tors. theta energy: -254.874
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: 2
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -2731.831325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.831325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.570461 (E_RNA)
where:
Base-Base interactions energy: -1858.790
where: short stacking energy: -808.968
Base-Backbone interact. energy: -1.953
local terms energy: -873.826810
where:
bonds (distance) C4'-P energy: -154.295
bonds (distance) P-C4' energy: -169.777
flat angles C4'-P-C4' energy: -182.490
flat angles P-C4'-P energy: -122.275
tors. eta vs tors. theta energy: -244.990
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: 3, replica: 10
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -2636.658111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.658111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.063650 (E_RNA)
where:
Base-Base interactions energy: -1800.269
where: short stacking energy: -802.411
Base-Backbone interact. energy: -1.164
local terms energy: -836.630811
where:
bonds (distance) C4'-P energy: -158.182
bonds (distance) P-C4' energy: -152.579
flat angles C4'-P-C4' energy: -175.510
flat angles P-C4'-P energy: -109.390
tors. eta vs tors. theta energy: -240.970
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: 4, replica: 4
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -2482.280995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.280995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.771481 (E_RNA)
where:
Base-Base interactions energy: -1699.183
where: short stacking energy: -728.012
Base-Backbone interact. energy: -3.161
local terms energy: -781.427096
where:
bonds (distance) C4'-P energy: -136.135
bonds (distance) P-C4' energy: -150.892
flat angles C4'-P-C4' energy: -171.471
flat angles P-C4'-P energy: -111.240
tors. eta vs tors. theta energy: -211.689
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: 5, replica: 7
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -2370.337418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.337418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.039843 (E_RNA)
where:
Base-Base interactions energy: -1606.765
where: short stacking energy: -698.671
Base-Backbone interact. energy: 1.369
local terms energy: -767.643776
where:
bonds (distance) C4'-P energy: -147.185
bonds (distance) P-C4' energy: -151.404
flat angles C4'-P-C4' energy: -163.698
flat angles P-C4'-P energy: -102.434
tors. eta vs tors. theta energy: -202.923
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: 6, replica: 8
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -2103.037876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.037876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.685553 (E_RNA)
where:
Base-Base interactions energy: -1409.126
where: short stacking energy: -599.197
Base-Backbone interact. energy: 2.817
local terms energy: -698.375662
where:
bonds (distance) C4'-P energy: -131.649
bonds (distance) P-C4' energy: -131.185
flat angles C4'-P-C4' energy: -155.562
flat angles P-C4'-P energy: -102.697
tors. eta vs tors. theta energy: -177.282
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: 7, replica: 3
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -2055.329855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.329855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.393935 (E_RNA)
where:
Base-Base interactions energy: -1382.488
where: short stacking energy: -596.542
Base-Backbone interact. energy: -1.237
local terms energy: -674.669132
where:
bonds (distance) C4'-P energy: -127.777
bonds (distance) P-C4' energy: -142.776
flat angles C4'-P-C4' energy: -146.917
flat angles P-C4'-P energy: -97.498
tors. eta vs tors. theta energy: -159.701
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: 6
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -2013.728147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.728147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.864030 (E_RNA)
where:
Base-Base interactions energy: -1386.790
where: short stacking energy: -572.045
Base-Backbone interact. energy: -1.634
local terms energy: -627.440121
where:
bonds (distance) C4'-P energy: -115.147
bonds (distance) P-C4' energy: -131.981
flat angles C4'-P-C4' energy: -154.290
flat angles P-C4'-P energy: -88.795
tors. eta vs tors. theta energy: -137.226
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: 9, replica: 5
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -1933.761427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.761427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.802799 (E_RNA)
where:
Base-Base interactions energy: -1321.219
where: short stacking energy: -563.852
Base-Backbone interact. energy: 3.065
local terms energy: -617.648502
where:
bonds (distance) C4'-P energy: -100.321
bonds (distance) P-C4' energy: -131.325
flat angles C4'-P-C4' energy: -135.638
flat angles P-C4'-P energy: -109.395
tors. eta vs tors. theta energy: -140.971
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: 10, replica: 1
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -1844.942310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.942310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.306531 (E_RNA)
where:
Base-Base interactions energy: -1233.086
where: short stacking energy: -512.682
Base-Backbone interact. energy: -1.398
local terms energy: -613.822519
where:
bonds (distance) C4'-P energy: -133.961
bonds (distance) P-C4' energy: -122.893
flat angles C4'-P-C4' energy: -143.258
flat angles P-C4'-P energy: -89.591
tors. eta vs tors. theta energy: -124.119
Dist. restrs. and SS energy: 3.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -2842.555720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2842.555720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.558212 (E_RNA)
where:
Base-Base interactions energy: -1960.163
where: short stacking energy: -834.336
Base-Backbone interact. energy: -2.591
local terms energy: -880.804514
where:
bonds (distance) C4'-P energy: -156.113
bonds (distance) P-C4' energy: -176.583
flat angles C4'-P-C4' energy: -178.837
flat angles P-C4'-P energy: -116.663
tors. eta vs tors. theta energy: -252.608
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: 2
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -2704.540322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.540322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.739049 (E_RNA)
where:
Base-Base interactions energy: -1865.882
where: short stacking energy: -805.350
Base-Backbone interact. energy: -2.782
local terms energy: -838.074240
where:
bonds (distance) C4'-P energy: -151.649
bonds (distance) P-C4' energy: -152.324
flat angles C4'-P-C4' energy: -184.845
flat angles P-C4'-P energy: -113.310
tors. eta vs tors. theta energy: -235.946
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: 3, replica: 10
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -2632.196940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.196940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.913826 (E_RNA)
where:
Base-Base interactions energy: -1802.724
where: short stacking energy: -759.496
Base-Backbone interact. energy: -1.892
local terms energy: -829.297773
where:
bonds (distance) C4'-P energy: -133.625
bonds (distance) P-C4' energy: -169.404
flat angles C4'-P-C4' energy: -177.698
flat angles P-C4'-P energy: -125.125
tors. eta vs tors. theta energy: -223.446
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: 4, replica: 4
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -2488.294262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.294262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.291093 (E_RNA)
where:
Base-Base interactions energy: -1670.563
where: short stacking energy: -730.351
Base-Backbone interact. energy: -3.095
local terms energy: -817.633581
where:
bonds (distance) C4'-P energy: -157.194
bonds (distance) P-C4' energy: -156.039
flat angles C4'-P-C4' energy: -181.329
flat angles P-C4'-P energy: -113.731
tors. eta vs tors. theta energy: -209.341
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: 5, replica: 7
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -2409.130716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.130716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.307387 (E_RNA)
where:
Base-Base interactions energy: -1630.790
where: short stacking energy: -696.286
Base-Backbone interact. energy: -4.636
local terms energy: -775.880715
where:
bonds (distance) C4'-P energy: -138.941
bonds (distance) P-C4' energy: -135.658
flat angles C4'-P-C4' energy: -174.716
flat angles P-C4'-P energy: -108.148
tors. eta vs tors. theta energy: -218.417
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: 6, replica: 8
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -2104.775050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.775050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.248803 (E_RNA)
where:
Base-Base interactions energy: -1416.152
where: short stacking energy: -605.543
Base-Backbone interact. energy: 0.847
local terms energy: -690.943749
where:
bonds (distance) C4'-P energy: -126.404
bonds (distance) P-C4' energy: -127.302
flat angles C4'-P-C4' energy: -160.185
flat angles P-C4'-P energy: -101.961
tors. eta vs tors. theta energy: -175.092
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: 7, replica: 3
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -2098.087899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.087899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.128468 (E_RNA)
where:
Base-Base interactions energy: -1423.984
where: short stacking energy: -611.150
Base-Backbone interact. energy: -1.702
local terms energy: -674.442749
where:
bonds (distance) C4'-P energy: -125.575
bonds (distance) P-C4' energy: -146.726
flat angles C4'-P-C4' energy: -142.176
flat angles P-C4'-P energy: -109.202
tors. eta vs tors. theta energy: -150.763
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: 6
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -1994.572889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.572889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.293955 (E_RNA)
where:
Base-Base interactions energy: -1362.165
where: short stacking energy: -577.267
Base-Backbone interact. energy: -0.158
local terms energy: -634.971676
where:
bonds (distance) C4'-P energy: -124.042
bonds (distance) P-C4' energy: -140.285
flat angles C4'-P-C4' energy: -139.883
flat angles P-C4'-P energy: -83.623
tors. eta vs tors. theta energy: -147.139
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: 9, replica: 5
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -1909.626077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.626077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.438581 (E_RNA)
where:
Base-Base interactions energy: -1303.378
where: short stacking energy: -544.512
Base-Backbone interact. energy: -0.902
local terms energy: -607.159222
where:
bonds (distance) C4'-P energy: -118.662
bonds (distance) P-C4' energy: -112.687
flat angles C4'-P-C4' energy: -145.065
flat angles P-C4'-P energy: -91.217
tors. eta vs tors. theta energy: -139.528
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: 10, replica: 1
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -1915.883223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.883223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.134822 (E_RNA)
where:
Base-Base interactions energy: -1339.581
where: short stacking energy: -541.692
Base-Backbone interact. energy: 1.361
local terms energy: -583.914927
where:
bonds (distance) C4'-P energy: -108.089
bonds (distance) P-C4' energy: -126.525
flat angles C4'-P-C4' energy: -127.922
flat angles P-C4'-P energy: -84.014
tors. eta vs tors. theta energy: -137.366
Dist. restrs. and SS energy: 6.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -2799.801774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.801774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.063916 (E_RNA)
where:
Base-Base interactions energy: -1916.256
where: short stacking energy: -830.786
Base-Backbone interact. energy: 3.225
local terms energy: -888.032649
where:
bonds (distance) C4'-P energy: -162.921
bonds (distance) P-C4' energy: -162.365
flat angles C4'-P-C4' energy: -193.738
flat angles P-C4'-P energy: -120.589
tors. eta vs tors. theta energy: -248.420
Dist. restrs. and SS energy: 1.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -2761.025595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.025595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2764.038541 (E_RNA)
where:
Base-Base interactions energy: -1906.154
where: short stacking energy: -797.669
Base-Backbone interact. energy: -2.128
local terms energy: -855.756213
where:
bonds (distance) C4'-P energy: -142.391
bonds (distance) P-C4' energy: -160.182
flat angles C4'-P-C4' energy: -188.467
flat angles P-C4'-P energy: -134.547
tors. eta vs tors. theta energy: -230.170
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: 3, replica: 10
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -2680.065755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.065755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.132840 (E_RNA)
where:
Base-Base interactions energy: -1853.627
where: short stacking energy: -804.574
Base-Backbone interact. energy: -0.080
local terms energy: -827.425368
where:
bonds (distance) C4'-P energy: -153.192
bonds (distance) P-C4' energy: -124.725
flat angles C4'-P-C4' energy: -179.051
flat angles P-C4'-P energy: -125.068
tors. eta vs tors. theta energy: -245.389
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: 4
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -2491.084552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.084552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.026007 (E_RNA)
where:
Base-Base interactions energy: -1695.534
where: short stacking energy: -710.586
Base-Backbone interact. energy: 5.234
local terms energy: -802.725755
where:
bonds (distance) C4'-P energy: -157.508
bonds (distance) P-C4' energy: -155.805
flat angles C4'-P-C4' energy: -170.148
flat angles P-C4'-P energy: -106.318
tors. eta vs tors. theta energy: -212.946
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: 5, replica: 7
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -2427.275996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.275996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.720835 (E_RNA)
where:
Base-Base interactions energy: -1653.571
where: short stacking energy: -697.646
Base-Backbone interact. energy: -3.131
local terms energy: -772.019019
where:
bonds (distance) C4'-P energy: -134.234
bonds (distance) P-C4' energy: -153.081
flat angles C4'-P-C4' energy: -160.539
flat angles P-C4'-P energy: -114.829
tors. eta vs tors. theta energy: -209.335
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: 214
Temperature: 1.150000
Total energy: -2169.735934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.735934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.525596 (E_RNA)
where:
Base-Base interactions energy: -1437.265
where: short stacking energy: -617.907
Base-Backbone interact. energy: -2.632
local terms energy: -731.627910
where:
bonds (distance) C4'-P energy: -132.740
bonds (distance) P-C4' energy: -156.354
flat angles C4'-P-C4' energy: -164.350
flat angles P-C4'-P energy: -105.133
tors. eta vs tors. theta energy: -173.052
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: 7, replica: 3
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -2106.412254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.412254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.949130 (E_RNA)
where:
Base-Base interactions energy: -1378.230
where: short stacking energy: -591.549
Base-Backbone interact. energy: 1.005
local terms energy: -731.724210
where:
bonds (distance) C4'-P energy: -140.777
bonds (distance) P-C4' energy: -153.826
flat angles C4'-P-C4' energy: -146.499
flat angles P-C4'-P energy: -107.719
tors. eta vs tors. theta energy: -182.903
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: 8, replica: 6
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -2017.384302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.384302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.987083 (E_RNA)
where:
Base-Base interactions energy: -1377.714
where: short stacking energy: -579.756
Base-Backbone interact. energy: -2.486
local terms energy: -640.787518
where:
bonds (distance) C4'-P energy: -116.532
bonds (distance) P-C4' energy: -150.453
flat angles C4'-P-C4' energy: -146.665
flat angles P-C4'-P energy: -85.502
tors. eta vs tors. theta energy: -141.635
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: 9, replica: 1
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -1970.880958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.880958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.193592 (E_RNA)
where:
Base-Base interactions energy: -1340.419
where: short stacking energy: -575.082
Base-Backbone interact. energy: 3.055
local terms energy: -642.829205
where:
bonds (distance) C4'-P energy: -137.668
bonds (distance) P-C4' energy: -127.480
flat angles C4'-P-C4' energy: -142.809
flat angles P-C4'-P energy: -80.504
tors. eta vs tors. theta energy: -154.368
Dist. restrs. and SS energy: 9.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -1885.834192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.834192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.569652 (E_RNA)
where:
Base-Base interactions energy: -1320.046
where: short stacking energy: -545.992
Base-Backbone interact. energy: 0.022
local terms energy: -568.545800
where:
bonds (distance) C4'-P energy: -133.384
bonds (distance) P-C4' energy: -122.772
flat angles C4'-P-C4' energy: -114.724
flat angles P-C4'-P energy: -79.162
tors. eta vs tors. theta energy: -118.504
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: 1, replica: 9
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -2832.526359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.526359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2833.798343 (E_RNA)
where:
Base-Base interactions energy: -1933.927
where: short stacking energy: -861.252
Base-Backbone interact. energy: 0.343
local terms energy: -900.214659
where:
bonds (distance) C4'-P energy: -154.184
bonds (distance) P-C4' energy: -159.948
flat angles C4'-P-C4' energy: -199.216
flat angles P-C4'-P energy: -139.757
tors. eta vs tors. theta energy: -247.109
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: 2, replica: 2
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -2752.232809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.232809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.750185 (E_RNA)
where:
Base-Base interactions energy: -1897.288
where: short stacking energy: -826.345
Base-Backbone interact. energy: -3.575
local terms energy: -853.887064
where:
bonds (distance) C4'-P energy: -161.005
bonds (distance) P-C4' energy: -143.839
flat angles C4'-P-C4' energy: -181.867
flat angles P-C4'-P energy: -120.312
tors. eta vs tors. theta energy: -246.864
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: 3, replica: 10
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -2681.332779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.332779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.707581 (E_RNA)
where:
Base-Base interactions energy: -1842.855
where: short stacking energy: -795.260
Base-Backbone interact. energy: 2.626
local terms energy: -842.478440
where:
bonds (distance) C4'-P energy: -160.524
bonds (distance) P-C4' energy: -153.483
flat angles C4'-P-C4' energy: -177.138
flat angles P-C4'-P energy: -120.860
tors. eta vs tors. theta energy: -230.473
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: 4, replica: 7
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -2479.406491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.406491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.382423 (E_RNA)
where:
Base-Base interactions energy: -1688.575
where: short stacking energy: -710.660
Base-Backbone interact. energy: -1.568
local terms energy: -792.239383
where:
bonds (distance) C4'-P energy: -149.038
bonds (distance) P-C4' energy: -149.894
flat angles C4'-P-C4' energy: -176.061
flat angles P-C4'-P energy: -112.413
tors. eta vs tors. theta energy: -204.832
Dist. restrs. and SS energy: 2.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -2431.297840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.297840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.143872 (E_RNA)
where:
Base-Base interactions energy: -1636.013
where: short stacking energy: -688.642
Base-Backbone interact. energy: -2.671
local terms energy: -794.460417
where:
bonds (distance) C4'-P energy: -140.415
bonds (distance) P-C4' energy: -151.366
flat angles C4'-P-C4' energy: -167.792
flat angles P-C4'-P energy: -125.119
tors. eta vs tors. theta energy: -209.769
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: 6, replica: 8
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -2182.186015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.186015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.626270 (E_RNA)
where:
Base-Base interactions energy: -1455.279
where: short stacking energy: -614.898
Base-Backbone interact. energy: 1.507
local terms energy: -730.854431
where:
bonds (distance) C4'-P energy: -149.059
bonds (distance) P-C4' energy: -145.116
flat angles C4'-P-C4' energy: -164.299
flat angles P-C4'-P energy: -98.703
tors. eta vs tors. theta energy: -173.677
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: 7, replica: 3
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -2103.254958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.254958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.657865 (E_RNA)
where:
Base-Base interactions energy: -1409.919
where: short stacking energy: -584.460
Base-Backbone interact. energy: 0.365
local terms energy: -698.103844
where:
bonds (distance) C4'-P energy: -128.982
bonds (distance) P-C4' energy: -149.201
flat angles C4'-P-C4' energy: -166.245
flat angles P-C4'-P energy: -84.446
tors. eta vs tors. theta energy: -169.230
Dist. restrs. and SS energy: 4.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -2061.510649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.510649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.529254 (E_RNA)
where:
Base-Base interactions energy: -1371.434
where: short stacking energy: -583.269
Base-Backbone interact. energy: -0.365
local terms energy: -692.730539
where:
bonds (distance) C4'-P energy: -134.297
bonds (distance) P-C4' energy: -148.994
flat angles C4'-P-C4' energy: -137.495
flat angles P-C4'-P energy: -104.998
tors. eta vs tors. theta energy: -166.946
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: 9, replica: 6
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -1987.590411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.590411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.887129 (E_RNA)
where:
Base-Base interactions energy: -1332.827
where: short stacking energy: -536.680
Base-Backbone interact. energy: 1.206
local terms energy: -659.265721
where:
bonds (distance) C4'-P energy: -158.066
bonds (distance) P-C4' energy: -116.019
flat angles C4'-P-C4' energy: -156.180
flat angles P-C4'-P energy: -96.447
tors. eta vs tors. theta energy: -132.554
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: 5
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -1870.871760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.871760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.853568 (E_RNA)
where:
Base-Base interactions energy: -1263.959
where: short stacking energy: -502.518
Base-Backbone interact. energy: -0.241
local terms energy: -611.653615
where:
bonds (distance) C4'-P energy: -127.531
bonds (distance) P-C4' energy: -162.270
flat angles C4'-P-C4' energy: -134.116
flat angles P-C4'-P energy: -67.783
tors. eta vs tors. theta energy: -119.954
Dist. restrs. and SS energy: 4.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -2805.562973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.562973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.760448 (E_RNA)
where:
Base-Base interactions energy: -1880.911
where: short stacking energy: -843.959
Base-Backbone interact. energy: -1.905
local terms energy: -923.944386
where:
bonds (distance) C4'-P energy: -171.622
bonds (distance) P-C4' energy: -172.956
flat angles C4'-P-C4' energy: -194.396
flat angles P-C4'-P energy: -130.352
tors. eta vs tors. theta energy: -254.619
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: 2, replica: 2
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -2753.704770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.704770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.116424 (E_RNA)
where:
Base-Base interactions energy: -1890.931
where: short stacking energy: -802.711
Base-Backbone interact. energy: -4.339
local terms energy: -860.846869
where:
bonds (distance) C4'-P energy: -153.191
bonds (distance) P-C4' energy: -154.139
flat angles C4'-P-C4' energy: -185.462
flat angles P-C4'-P energy: -136.180
tors. eta vs tors. theta energy: -231.875
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: 3, replica: 7
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -2603.261680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.261680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.020384 (E_RNA)
where:
Base-Base interactions energy: -1766.251
where: short stacking energy: -754.044
Base-Backbone interact. energy: -3.246
local terms energy: -836.523210
where:
bonds (distance) C4'-P energy: -159.260
bonds (distance) P-C4' energy: -160.304
flat angles C4'-P-C4' energy: -172.230
flat angles P-C4'-P energy: -127.189
tors. eta vs tors. theta energy: -217.541
Dist. restrs. and SS energy: 2.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -2514.460644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.460644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.721126 (E_RNA)
where:
Base-Base interactions energy: -1715.055
where: short stacking energy: -741.704
Base-Backbone interact. energy: 6.036
local terms energy: -806.701595
where:
bonds (distance) C4'-P energy: -136.778
bonds (distance) P-C4' energy: -155.839
flat angles C4'-P-C4' energy: -171.809
flat angles P-C4'-P energy: -115.735
tors. eta vs tors. theta energy: -226.540
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: 5, replica: 4
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -2397.222902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.222902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.367500 (E_RNA)
where:
Base-Base interactions energy: -1657.273
where: short stacking energy: -690.781
Base-Backbone interact. energy: -1.139
local terms energy: -739.955965
where:
bonds (distance) C4'-P energy: -127.049
bonds (distance) P-C4' energy: -127.439
flat angles C4'-P-C4' energy: -174.010
flat angles P-C4'-P energy: -115.434
tors. eta vs tors. theta energy: -196.024
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: 6, replica: 8
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -2216.536921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.536921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.552845 (E_RNA)
where:
Base-Base interactions energy: -1487.649
where: short stacking energy: -644.178
Base-Backbone interact. energy: 2.286
local terms energy: -733.190310
where:
bonds (distance) C4'-P energy: -142.922
bonds (distance) P-C4' energy: -143.137
flat angles C4'-P-C4' energy: -173.146
flat angles P-C4'-P energy: -103.418
tors. eta vs tors. theta energy: -170.567
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: 7, replica: 3
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -2148.108714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.108714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.029665 (E_RNA)
where:
Base-Base interactions energy: -1437.395
where: short stacking energy: -595.291
Base-Backbone interact. energy: -0.815
local terms energy: -712.819791
where:
bonds (distance) C4'-P energy: -149.641
bonds (distance) P-C4' energy: -128.897
flat angles C4'-P-C4' energy: -169.983
flat angles P-C4'-P energy: -110.728
tors. eta vs tors. theta energy: -153.571
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: 1
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -2033.393662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.393662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.375024 (E_RNA)
where:
Base-Base interactions energy: -1369.556
where: short stacking energy: -571.667
Base-Backbone interact. energy: -0.284
local terms energy: -666.535258
where:
bonds (distance) C4'-P energy: -129.631
bonds (distance) P-C4' energy: -144.204
flat angles C4'-P-C4' energy: -140.821
flat angles P-C4'-P energy: -105.604
tors. eta vs tors. theta energy: -146.275
Dist. restrs. and SS energy: 2.981 (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: 6
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -1954.372805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.372805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.665449 (E_RNA)
where:
Base-Base interactions energy: -1334.799
where: short stacking energy: -570.163
Base-Backbone interact. energy: -0.051
local terms energy: -622.815817
where:
bonds (distance) C4'-P energy: -132.553
bonds (distance) P-C4' energy: -125.204
flat angles C4'-P-C4' energy: -132.727
flat angles P-C4'-P energy: -86.146
tors. eta vs tors. theta energy: -146.186
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: 10, replica: 5
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -1849.275488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.275488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.607662 (E_RNA)
where:
Base-Base interactions energy: -1248.931
where: short stacking energy: -520.578
Base-Backbone interact. energy: -4.698
local terms energy: -599.978190
where:
bonds (distance) C4'-P energy: -116.151
bonds (distance) P-C4' energy: -134.779
flat angles C4'-P-C4' energy: -138.828
flat angles P-C4'-P energy: -84.558
tors. eta vs tors. theta energy: -125.662
Dist. restrs. and SS energy: 4.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -2840.760684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.760684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2841.605630 (E_RNA)
where:
Base-Base interactions energy: -1937.903
where: short stacking energy: -855.879
Base-Backbone interact. energy: 0.192
local terms energy: -903.894887
where:
bonds (distance) C4'-P energy: -160.844
bonds (distance) P-C4' energy: -163.613
flat angles C4'-P-C4' energy: -196.676
flat angles P-C4'-P energy: -132.997
tors. eta vs tors. theta energy: -249.766
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: 2, replica: 2
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -2708.295195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.295195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.784057 (E_RNA)
where:
Base-Base interactions energy: -1866.261
where: short stacking energy: -803.033
Base-Backbone interact. energy: -4.808
local terms energy: -839.715137
where:
bonds (distance) C4'-P energy: -146.923
bonds (distance) P-C4' energy: -164.099
flat angles C4'-P-C4' energy: -171.836
flat angles P-C4'-P energy: -124.784
tors. eta vs tors. theta energy: -232.072
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: 7
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -2549.062317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.062317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.250308 (E_RNA)
where:
Base-Base interactions energy: -1741.531
where: short stacking energy: -736.698
Base-Backbone interact. energy: -0.747
local terms energy: -808.972560
where:
bonds (distance) C4'-P energy: -145.606
bonds (distance) P-C4' energy: -161.888
flat angles C4'-P-C4' energy: -178.675
flat angles P-C4'-P energy: -117.047
tors. eta vs tors. theta energy: -205.756
Dist. restrs. and SS energy: 2.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -2655.218205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.218205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.829338 (E_RNA)
where:
Base-Base interactions energy: -1833.225
where: short stacking energy: -792.491
Base-Backbone interact. energy: 3.080
local terms energy: -826.683844
where:
bonds (distance) C4'-P energy: -136.244
bonds (distance) P-C4' energy: -160.186
flat angles C4'-P-C4' energy: -178.052
flat angles P-C4'-P energy: -116.171
tors. eta vs tors. theta energy: -236.031
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: 5, replica: 4
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -2339.376789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.376789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.821303 (E_RNA)
where:
Base-Base interactions energy: -1589.387
where: short stacking energy: -684.870
Base-Backbone interact. energy: -2.094
local terms energy: -750.340671
where:
bonds (distance) C4'-P energy: -140.311
bonds (distance) P-C4' energy: -148.642
flat angles C4'-P-C4' energy: -163.506
flat angles P-C4'-P energy: -101.920
tors. eta vs tors. theta energy: -195.961
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: 6, replica: 3
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -2205.513730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.513730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.856280 (E_RNA)
where:
Base-Base interactions energy: -1518.258
where: short stacking energy: -655.605
Base-Backbone interact. energy: 0.283
local terms energy: -689.881647
where:
bonds (distance) C4'-P energy: -139.431
bonds (distance) P-C4' energy: -121.380
flat angles C4'-P-C4' energy: -151.054
flat angles P-C4'-P energy: -101.071
tors. eta vs tors. theta energy: -176.946
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: 217
Temperature: 1.200000
Total energy: -2138.342469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.342469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.930818 (E_RNA)
where:
Base-Base interactions energy: -1439.506
where: short stacking energy: -641.544
Base-Backbone interact. energy: 4.610
local terms energy: -706.035304
where:
bonds (distance) C4'-P energy: -129.730
bonds (distance) P-C4' energy: -151.598
flat angles C4'-P-C4' energy: -160.467
flat angles P-C4'-P energy: -90.667
tors. eta vs tors. theta energy: -173.573
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: 8, replica: 1
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -2032.167710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.167710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.119856 (E_RNA)
where:
Base-Base interactions energy: -1369.653
where: short stacking energy: -595.498
Base-Backbone interact. energy: -4.920
local terms energy: -659.547318
where:
bonds (distance) C4'-P energy: -140.280
bonds (distance) P-C4' energy: -117.462
flat angles C4'-P-C4' energy: -151.081
flat angles P-C4'-P energy: -96.487
tors. eta vs tors. theta energy: -154.237
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: 9, replica: 6
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -1937.884195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.884195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.109759 (E_RNA)
where:
Base-Base interactions energy: -1317.353
where: short stacking energy: -570.754
Base-Backbone interact. energy: 5.211
local terms energy: -628.967552
where:
bonds (distance) C4'-P energy: -111.022
bonds (distance) P-C4' energy: -133.522
flat angles C4'-P-C4' energy: -136.716
flat angles P-C4'-P energy: -86.044
tors. eta vs tors. theta energy: -161.663
Dist. restrs. and SS energy: 3.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -1860.804320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.804320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.118453 (E_RNA)
where:
Base-Base interactions energy: -1295.805
where: short stacking energy: -543.523
Base-Backbone interact. energy: -2.558
local terms energy: -565.755349
where:
bonds (distance) C4'-P energy: -117.953
bonds (distance) P-C4' energy: -107.622
flat angles C4'-P-C4' energy: -139.165
flat angles P-C4'-P energy: -79.824
tors. eta vs tors. theta energy: -121.193
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: 1, replica: 9
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -2823.475480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.475480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.607596 (E_RNA)
where:
Base-Base interactions energy: -1930.037
where: short stacking energy: -834.819
Base-Backbone interact. energy: -0.274
local terms energy: -894.297031
where:
bonds (distance) C4'-P energy: -160.006
bonds (distance) P-C4' energy: -155.791
flat angles C4'-P-C4' energy: -194.583
flat angles P-C4'-P energy: -142.011
tors. eta vs tors. theta energy: -241.905
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: 2, replica: 2
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -2739.954419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.954419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.416302 (E_RNA)
where:
Base-Base interactions energy: -1890.296
where: short stacking energy: -796.779
Base-Backbone interact. energy: -4.001
local terms energy: -848.119638
where:
bonds (distance) C4'-P energy: -160.358
bonds (distance) P-C4' energy: -162.362
flat angles C4'-P-C4' energy: -183.280
flat angles P-C4'-P energy: -110.821
tors. eta vs tors. theta energy: -231.299
Dist. restrs. and SS energy: 2.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -2616.889501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.889501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.930689 (E_RNA)
where:
Base-Base interactions energy: -1788.925
where: short stacking energy: -746.201
Base-Backbone interact. energy: -0.926
local terms energy: -829.079746
where:
bonds (distance) C4'-P energy: -154.791
bonds (distance) P-C4' energy: -157.667
flat angles C4'-P-C4' energy: -185.341
flat angles P-C4'-P energy: -119.093
tors. eta vs tors. theta energy: -212.187
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: 4, replica: 10
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -2637.850608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.850608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.956477 (E_RNA)
where:
Base-Base interactions energy: -1817.564
where: short stacking energy: -761.781
Base-Backbone interact. energy: 4.828
local terms energy: -827.221256
where:
bonds (distance) C4'-P energy: -133.877
bonds (distance) P-C4' energy: -156.915
flat angles C4'-P-C4' energy: -188.412
flat angles P-C4'-P energy: -114.456
tors. eta vs tors. theta energy: -233.560
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: 5, replica: 4
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -2314.844824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.844824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.034825 (E_RNA)
where:
Base-Base interactions energy: -1565.749
where: short stacking energy: -675.121
Base-Backbone interact. energy: -1.580
local terms energy: -751.705702
where:
bonds (distance) C4'-P energy: -154.996
bonds (distance) P-C4' energy: -142.407
flat angles C4'-P-C4' energy: -163.112
flat angles P-C4'-P energy: -108.796
tors. eta vs tors. theta energy: -182.395
Dist. restrs. and SS energy: 4.190 (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: 3
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -2205.587687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.587687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.855564 (E_RNA)
where:
Base-Base interactions energy: -1480.122
where: short stacking energy: -652.364
Base-Backbone interact. energy: -3.075
local terms energy: -724.658201
where:
bonds (distance) C4'-P energy: -134.996
bonds (distance) P-C4' energy: -152.211
flat angles C4'-P-C4' energy: -153.360
flat angles P-C4'-P energy: -111.577
tors. eta vs tors. theta energy: -172.515
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: 8
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -2115.335265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.335265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.632829 (E_RNA)
where:
Base-Base interactions energy: -1414.955
where: short stacking energy: -625.227
Base-Backbone interact. energy: -1.267
local terms energy: -702.410167
where:
bonds (distance) C4'-P energy: -138.376
bonds (distance) P-C4' energy: -148.488
flat angles C4'-P-C4' energy: -162.308
flat angles P-C4'-P energy: -81.117
tors. eta vs tors. theta energy: -172.122
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: 8, replica: 1
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -2033.879407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.879407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.390072 (E_RNA)
where:
Base-Base interactions energy: -1378.809
where: short stacking energy: -595.523
Base-Backbone interact. energy: -2.113
local terms energy: -656.467927
where:
bonds (distance) C4'-P energy: -142.355
bonds (distance) P-C4' energy: -138.758
flat angles C4'-P-C4' energy: -141.862
flat angles P-C4'-P energy: -81.486
tors. eta vs tors. theta energy: -152.007
Dist. restrs. and SS energy: 3.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -1955.112054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.112054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.858822 (E_RNA)
where:
Base-Base interactions energy: -1344.999
where: short stacking energy: -580.100
Base-Backbone interact. energy: 1.161
local terms energy: -614.020944
where:
bonds (distance) C4'-P energy: -103.062
bonds (distance) P-C4' energy: -134.698
flat angles C4'-P-C4' energy: -152.882
flat angles P-C4'-P energy: -79.468
tors. eta vs tors. theta energy: -143.910
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: 10, replica: 5
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -1868.282825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.282825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.435788 (E_RNA)
where:
Base-Base interactions energy: -1262.772
where: short stacking energy: -530.934
Base-Backbone interact. energy: 2.460
local terms energy: -613.123649
where:
bonds (distance) C4'-P energy: -118.341
bonds (distance) P-C4' energy: -134.967
flat angles C4'-P-C4' energy: -135.839
flat angles P-C4'-P energy: -79.508
tors. eta vs tors. theta energy: -144.469
Dist. restrs. and SS energy: 5.153 (S_DIST_RNA)
chem. 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: -2808.982927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.982927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.545796 (E_RNA)
where:
Base-Base interactions energy: -1918.044
where: short stacking energy: -828.356
Base-Backbone interact. energy: -2.667
local terms energy: -889.834451
where:
bonds (distance) C4'-P energy: -160.629
bonds (distance) P-C4' energy: -168.970
flat angles C4'-P-C4' energy: -184.698
flat angles P-C4'-P energy: -118.515
tors. eta vs tors. theta energy: -257.024
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: 2, replica: 2
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -2719.652377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.652377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.037662 (E_RNA)
where:
Base-Base interactions energy: -1851.285
where: short stacking energy: -783.123
Base-Backbone interact. energy: 4.871
local terms energy: -874.624577
where:
bonds (distance) C4'-P energy: -155.087
bonds (distance) P-C4' energy: -152.960
flat angles C4'-P-C4' energy: -191.596
flat angles P-C4'-P energy: -141.302
tors. eta vs tors. theta energy: -233.680
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: 3, replica: 7
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -2622.069243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.069243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.070611 (E_RNA)
where:
Base-Base interactions energy: -1818.141
where: short stacking energy: -756.931
Base-Backbone interact. energy: -1.243
local terms energy: -803.686224
where:
bonds (distance) C4'-P energy: -141.821
bonds (distance) P-C4' energy: -164.599
flat angles C4'-P-C4' energy: -179.219
flat angles P-C4'-P energy: -99.692
tors. eta vs tors. theta energy: -218.355
Dist. restrs. and SS energy: 1.001 (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: 10
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -2594.173128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.173128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.680576 (E_RNA)
where:
Base-Base interactions energy: -1790.613
where: short stacking energy: -736.771
Base-Backbone interact. energy: -2.743
local terms energy: -802.324638
where:
bonds (distance) C4'-P energy: -145.541
bonds (distance) P-C4' energy: -158.921
flat angles C4'-P-C4' energy: -177.866
flat angles P-C4'-P energy: -109.942
tors. eta vs tors. theta energy: -210.055
Dist. restrs. and SS energy: 1.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -2339.284431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.284431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.723366 (E_RNA)
where:
Base-Base interactions energy: -1580.350
where: short stacking energy: -699.826
Base-Backbone interact. energy: -2.772
local terms energy: -758.601151
where:
bonds (distance) C4'-P energy: -149.711
bonds (distance) P-C4' energy: -163.646
flat angles C4'-P-C4' energy: -161.925
flat angles P-C4'-P energy: -94.791
tors. eta vs tors. theta energy: -188.528
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: 6, replica: 3
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -2243.102099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.102099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.109915 (E_RNA)
where:
Base-Base interactions energy: -1499.121
where: short stacking energy: -634.311
Base-Backbone interact. energy: -1.552
local terms energy: -744.436477
where:
bonds (distance) C4'-P energy: -158.385
bonds (distance) P-C4' energy: -146.140
flat angles C4'-P-C4' energy: -163.501
flat angles P-C4'-P energy: -96.876
tors. eta vs tors. theta energy: -179.535
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: 7, replica: 8
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -2078.519415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.519415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.343026 (E_RNA)
where:
Base-Base interactions energy: -1395.641
where: short stacking energy: -603.374
Base-Backbone interact. energy: -0.654
local terms energy: -685.048657
where:
bonds (distance) C4'-P energy: -133.932
bonds (distance) P-C4' energy: -131.859
flat angles C4'-P-C4' energy: -161.794
flat angles P-C4'-P energy: -103.244
tors. eta vs tors. theta energy: -154.219
Dist. restrs. and SS energy: 2.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -2075.472130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.472130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.131923 (E_RNA)
where:
Base-Base interactions energy: -1402.127
where: short stacking energy: -560.824
Base-Backbone interact. energy: -0.271
local terms energy: -675.733201
where:
bonds (distance) C4'-P energy: -137.694
bonds (distance) P-C4' energy: -142.009
flat angles C4'-P-C4' energy: -152.482
flat angles P-C4'-P energy: -97.693
tors. eta vs tors. theta energy: -145.856
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: 9, replica: 6
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -1982.134311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.134311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.206736 (E_RNA)
where:
Base-Base interactions energy: -1381.295
where: short stacking energy: -566.035
Base-Backbone interact. energy: -0.949
local terms energy: -601.962422
where:
bonds (distance) C4'-P energy: -107.756
bonds (distance) P-C4' energy: -142.412
flat angles C4'-P-C4' energy: -135.660
flat angles P-C4'-P energy: -80.812
tors. eta vs tors. theta energy: -135.322
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: 10, replica: 5
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -1825.158488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.158488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.216330 (E_RNA)
where:
Base-Base interactions energy: -1265.645
where: short stacking energy: -538.227
Base-Backbone interact. energy: -0.902
local terms energy: -563.669598
where:
bonds (distance) C4'-P energy: -87.891
bonds (distance) P-C4' energy: -131.787
flat angles C4'-P-C4' energy: -140.619
flat angles P-C4'-P energy: -63.437
tors. eta vs tors. theta energy: -139.936
Dist. restrs. and SS energy: 5.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -2800.371804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.371804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.958937 (E_RNA)
where:
Base-Base interactions energy: -1930.769
where: short stacking energy: -834.939
Base-Backbone interact. energy: -2.597
local terms energy: -868.592999
where:
bonds (distance) C4'-P energy: -152.594
bonds (distance) P-C4' energy: -169.891
flat angles C4'-P-C4' energy: -176.313
flat angles P-C4'-P energy: -122.906
tors. eta vs tors. theta energy: -246.890
Dist. restrs. and SS energy: 1.587 (S_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: 220
Temperature: 0.950000
Total energy: -2723.366084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.366084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.215474 (E_RNA)
where:
Base-Base interactions energy: -1858.454
where: short stacking energy: -792.270
Base-Backbone interact. energy: -0.220
local terms energy: -865.541982
where:
bonds (distance) C4'-P energy: -155.238
bonds (distance) P-C4' energy: -164.043
flat angles C4'-P-C4' energy: -195.105
flat angles P-C4'-P energy: -112.724
tors. eta vs tors. theta energy: -238.432
Dist. restrs. and SS energy: 0.849 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -2612.878014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.878014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.156031 (E_RNA)
where:
Base-Base interactions energy: -1814.981
where: short stacking energy: -749.153
Base-Backbone interact. energy: -2.896
local terms energy: -796.279295
where:
bonds (distance) C4'-P energy: -157.498
bonds (distance) P-C4' energy: -162.635
flat angles C4'-P-C4' energy: -158.820
flat angles P-C4'-P energy: -102.937
tors. eta vs tors. theta energy: -214.390
Dist. restrs. and SS energy: 1.278 (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: 10
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -2593.255566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.255566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.944372 (E_RNA)
where:
Base-Base interactions energy: -1797.373
where: short stacking energy: -775.137
Base-Backbone interact. energy: 12.228
local terms energy: -810.799839
where:
bonds (distance) C4'-P energy: -129.074
bonds (distance) P-C4' energy: -166.284
flat angles C4'-P-C4' energy: -182.832
flat angles P-C4'-P energy: -114.823
tors. eta vs tors. theta energy: -217.787
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: 5, replica: 4
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -2358.700376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.700376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.524882 (E_RNA)
where:
Base-Base interactions energy: -1608.432
where: short stacking energy: -687.643
Base-Backbone interact. energy: -3.562
local terms energy: -748.531579
where:
bonds (distance) C4'-P energy: -110.619
bonds (distance) P-C4' energy: -157.426
flat angles C4'-P-C4' energy: -168.407
flat angles P-C4'-P energy: -109.608
tors. eta vs tors. theta energy: -202.472
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: 6, replica: 3
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -2212.297301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.297301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.291364 (E_RNA)
where:
Base-Base interactions energy: -1500.159
where: short stacking energy: -622.615
Base-Backbone interact. energy: 10.378
local terms energy: -725.510382
where:
bonds (distance) C4'-P energy: -149.468
bonds (distance) P-C4' energy: -163.786
flat angles C4'-P-C4' energy: -147.697
flat angles P-C4'-P energy: -101.740
tors. eta vs tors. theta energy: -162.820
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: 7, replica: 8
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -2108.052322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.052322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.652952 (E_RNA)
where:
Base-Base interactions energy: -1413.991
where: short stacking energy: -600.489
Base-Backbone interact. energy: -3.486
local terms energy: -693.176746
where:
bonds (distance) C4'-P energy: -124.108
bonds (distance) P-C4' energy: -151.475
flat angles C4'-P-C4' energy: -151.838
flat angles P-C4'-P energy: -92.643
tors. eta vs tors. theta energy: -173.113
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: 8, replica: 1
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -2036.548484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.548484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.939005 (E_RNA)
where:
Base-Base interactions energy: -1392.068
where: short stacking energy: -579.156
Base-Backbone interact. energy: 1.921
local terms energy: -648.791956
where:
bonds (distance) C4'-P energy: -132.194
bonds (distance) P-C4' energy: -127.703
flat angles C4'-P-C4' energy: -145.970
flat angles P-C4'-P energy: -83.564
tors. eta vs tors. theta energy: -159.361
Dist. restrs. and SS energy: 2.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -1899.426075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.426075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.590805 (E_RNA)
where:
Base-Base interactions energy: -1298.467
where: short stacking energy: -555.716
Base-Backbone interact. energy: 0.218
local terms energy: -605.341749
where:
bonds (distance) C4'-P energy: -128.921
bonds (distance) P-C4' energy: -145.136
flat angles C4'-P-C4' energy: -133.476
flat angles P-C4'-P energy: -70.335
tors. eta vs tors. theta energy: -127.474
Dist. restrs. and SS energy: 4.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -1910.279727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.279727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.366073 (E_RNA)
where:
Base-Base interactions energy: -1309.359
where: short stacking energy: -552.827
Base-Backbone interact. energy: -0.190
local terms energy: -603.817023
where:
bonds (distance) C4'-P energy: -138.907
bonds (distance) P-C4' energy: -127.197
flat angles C4'-P-C4' energy: -124.093
flat angles P-C4'-P energy: -77.060
tors. eta vs tors. theta energy: -136.560
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: 1, replica: 9
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -2843.147155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.147155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.908442 (E_RNA)
where:
Base-Base interactions energy: -1968.837
where: short stacking energy: -840.981
Base-Backbone interact. energy: 0.049
local terms energy: -875.120820
where:
bonds (distance) C4'-P energy: -152.027
bonds (distance) P-C4' energy: -164.626
flat angles C4'-P-C4' energy: -187.817
flat angles P-C4'-P energy: -121.808
tors. eta vs tors. theta energy: -248.843
Dist. restrs. and SS energy: 0.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -2702.748370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.748370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.430185 (E_RNA)
where:
Base-Base interactions energy: -1839.903
where: short stacking energy: -764.182
Base-Backbone interact. energy: -1.627
local terms energy: -862.900578
where:
bonds (distance) C4'-P energy: -146.808
bonds (distance) P-C4' energy: -172.167
flat angles C4'-P-C4' energy: -183.237
flat angles P-C4'-P energy: -127.604
tors. eta vs tors. theta energy: -233.085
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: 3, replica: 7
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -2591.437846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.437846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.779964 (E_RNA)
where:
Base-Base interactions energy: -1800.371
where: short stacking energy: -756.952
Base-Backbone interact. energy: -1.604
local terms energy: -790.805133
where:
bonds (distance) C4'-P energy: -157.035
bonds (distance) P-C4' energy: -162.484
flat angles C4'-P-C4' energy: -168.781
flat angles P-C4'-P energy: -98.248
tors. eta vs tors. theta energy: -204.256
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: 4, replica: 10
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -2571.743431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.743431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.890611 (E_RNA)
where:
Base-Base interactions energy: -1766.453
where: short stacking energy: -761.368
Base-Backbone interact. energy: -2.635
local terms energy: -804.802728
where:
bonds (distance) C4'-P energy: -152.055
bonds (distance) P-C4' energy: -146.038
flat angles C4'-P-C4' energy: -174.665
flat angles P-C4'-P energy: -107.048
tors. eta vs tors. theta energy: -224.997
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: 5, replica: 4
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -2370.154182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.154182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.503081 (E_RNA)
where:
Base-Base interactions energy: -1602.343
where: short stacking energy: -682.233
Base-Backbone interact. energy: -3.271
local terms energy: -765.888653
where:
bonds (distance) C4'-P energy: -151.784
bonds (distance) P-C4' energy: -145.045
flat angles C4'-P-C4' energy: -156.168
flat angles P-C4'-P energy: -109.496
tors. eta vs tors. theta energy: -203.396
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: 6, replica: 3
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -2206.596857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.596857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.461125 (E_RNA)
where:
Base-Base interactions energy: -1458.504
where: short stacking energy: -651.855
Base-Backbone interact. energy: -1.645
local terms energy: -749.311724
where:
bonds (distance) C4'-P energy: -152.130
bonds (distance) P-C4' energy: -155.012
flat angles C4'-P-C4' energy: -167.732
flat angles P-C4'-P energy: -96.022
tors. eta vs tors. theta energy: -178.415
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: 7, replica: 8
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -2120.721094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.721094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.933334 (E_RNA)
where:
Base-Base interactions energy: -1425.159
where: short stacking energy: -604.266
Base-Backbone interact. energy: 0.927
local terms energy: -698.700485
where:
bonds (distance) C4'-P energy: -137.772
bonds (distance) P-C4' energy: -128.585
flat angles C4'-P-C4' energy: -145.602
flat angles P-C4'-P energy: -109.360
tors. eta vs tors. theta energy: -177.381
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: 1
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -2091.904016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.904016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.188272 (E_RNA)
where:
Base-Base interactions energy: -1451.652
where: short stacking energy: -610.846
Base-Backbone interact. energy: -2.062
local terms energy: -640.474431
where:
bonds (distance) C4'-P energy: -117.263
bonds (distance) P-C4' energy: -132.092
flat angles C4'-P-C4' energy: -149.778
flat angles P-C4'-P energy: -88.558
tors. eta vs tors. theta energy: -152.784
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: 9, replica: 5
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -1897.551552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.551552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.615298 (E_RNA)
where:
Base-Base interactions energy: -1289.004
where: short stacking energy: -539.121
Base-Backbone interact. energy: 1.701
local terms energy: -615.312714
where:
bonds (distance) C4'-P energy: -131.258
bonds (distance) P-C4' energy: -144.749
flat angles C4'-P-C4' energy: -124.899
flat angles P-C4'-P energy: -86.186
tors. eta vs tors. theta energy: -128.219
Dist. restrs. and SS energy: 5.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -1893.360592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.360592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.009626 (E_RNA)
where:
Base-Base interactions energy: -1280.990
where: short stacking energy: -522.853
Base-Backbone interact. energy: -1.328
local terms energy: -614.691227
where:
bonds (distance) C4'-P energy: -128.153
bonds (distance) P-C4' energy: -140.762
flat angles C4'-P-C4' energy: -147.400
flat angles P-C4'-P energy: -85.130
tors. eta vs tors. theta energy: -113.246
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: 1, replica: 9
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -2822.419350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.419350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.339760 (E_RNA)
where:
Base-Base interactions energy: -1946.095
where: short stacking energy: -833.048
Base-Backbone interact. energy: 1.527
local terms energy: -878.771415
where:
bonds (distance) C4'-P energy: -147.982
bonds (distance) P-C4' energy: -163.745
flat angles C4'-P-C4' energy: -192.670
flat angles P-C4'-P energy: -117.778
tors. eta vs tors. theta energy: -256.596
Dist. restrs. and SS energy: 0.920 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -2697.069389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.069389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.529029 (E_RNA)
where:
Base-Base interactions energy: -1835.698
where: short stacking energy: -775.412
Base-Backbone interact. energy: -2.474
local terms energy: -860.356280
where:
bonds (distance) C4'-P energy: -156.846
bonds (distance) P-C4' energy: -167.894
flat angles C4'-P-C4' energy: -187.266
flat angles P-C4'-P energy: -128.792
tors. eta vs tors. theta energy: -219.559
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: 10
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -2671.304967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.304967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.944931 (E_RNA)
where:
Base-Base interactions energy: -1850.060
where: short stacking energy: -788.309
Base-Backbone interact. energy: -2.181
local terms energy: -821.704224
where:
bonds (distance) C4'-P energy: -147.726
bonds (distance) P-C4' energy: -146.850
flat angles C4'-P-C4' energy: -168.126
flat angles P-C4'-P energy: -125.816
tors. eta vs tors. theta energy: -233.186
Dist. restrs. and SS energy: 2.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -2510.558599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.558599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.419143 (E_RNA)
where:
Base-Base interactions energy: -1749.209
where: short stacking energy: -729.777
Base-Backbone interact. energy: -2.481
local terms energy: -760.728851
where:
bonds (distance) C4'-P energy: -129.289
bonds (distance) P-C4' energy: -149.603
flat angles C4'-P-C4' energy: -172.916
flat angles P-C4'-P energy: -109.949
tors. eta vs tors. theta energy: -198.971
Dist. restrs. and SS energy: 1.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -2419.008376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.008376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.002951 (E_RNA)
where:
Base-Base interactions energy: -1638.543
where: short stacking energy: -675.427
Base-Backbone interact. energy: -2.326
local terms energy: -781.133735
where:
bonds (distance) C4'-P energy: -134.193
bonds (distance) P-C4' energy: -166.586
flat angles C4'-P-C4' energy: -159.724
flat angles P-C4'-P energy: -122.713
tors. eta vs tors. theta energy: -197.918
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: 6, replica: 3
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -2204.137685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.137685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.176775 (E_RNA)
where:
Base-Base interactions energy: -1478.931
where: short stacking energy: -625.643
Base-Backbone interact. energy: 1.920
local terms energy: -729.165640
where:
bonds (distance) C4'-P energy: -142.243
bonds (distance) P-C4' energy: -153.092
flat angles C4'-P-C4' energy: -161.868
flat angles P-C4'-P energy: -103.253
tors. eta vs tors. theta energy: -168.710
Dist. restrs. and SS energy: 2.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -2152.024399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.024399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.721912 (E_RNA)
where:
Base-Base interactions energy: -1484.489
where: short stacking energy: -615.421
Base-Backbone interact. energy: -0.389
local terms energy: -668.843764
where:
bonds (distance) C4'-P energy: -135.446
bonds (distance) P-C4' energy: -140.461
flat angles C4'-P-C4' energy: -145.347
flat angles P-C4'-P energy: -89.545
tors. eta vs tors. theta energy: -158.046
Dist. restrs. and SS energy: 1.698 (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: 8
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -2013.347982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.347982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.603564 (E_RNA)
where:
Base-Base interactions energy: -1358.730
where: short stacking energy: -577.086
Base-Backbone interact. energy: -0.519
local terms energy: -657.353989
where:
bonds (distance) C4'-P energy: -131.776
bonds (distance) P-C4' energy: -134.529
flat angles C4'-P-C4' energy: -138.065
flat angles P-C4'-P energy: -103.033
tors. eta vs tors. theta energy: -149.950
Dist. restrs. and SS energy: 3.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -1902.031632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.031632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.842556 (E_RNA)
where:
Base-Base interactions energy: -1301.100
where: short stacking energy: -517.215
Base-Backbone interact. energy: 2.539
local terms energy: -606.281505
where:
bonds (distance) C4'-P energy: -129.485
bonds (distance) P-C4' energy: -127.817
flat angles C4'-P-C4' energy: -143.474
flat angles P-C4'-P energy: -78.566
tors. eta vs tors. theta energy: -126.939
Dist. restrs. and SS energy: 2.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -1892.964021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.964021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.534551 (E_RNA)
where:
Base-Base interactions energy: -1265.194
where: short stacking energy: -529.765
Base-Backbone interact. energy: 3.926
local terms energy: -638.266040
where:
bonds (distance) C4'-P energy: -133.331
bonds (distance) P-C4' energy: -133.420
flat angles C4'-P-C4' energy: -136.419
flat angles P-C4'-P energy: -106.053
tors. eta vs tors. theta energy: -129.043
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: 223
Temperature: 0.900000
Total energy: -2856.936215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2856.936215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2859.018296 (E_RNA)
where:
Base-Base interactions energy: -1965.395
where: short stacking energy: -846.698
Base-Backbone interact. energy: -1.941
local terms energy: -891.682805
where:
bonds (distance) C4'-P energy: -159.435
bonds (distance) P-C4' energy: -175.588
flat angles C4'-P-C4' energy: -182.561
flat angles P-C4'-P energy: -128.135
tors. eta vs tors. theta energy: -245.964
Dist. restrs. and SS energy: 2.082 (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: 10
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -2740.426335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.426335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.695927 (E_RNA)
where:
Base-Base interactions energy: -1871.852
where: short stacking energy: -828.277
Base-Backbone interact. energy: -3.471
local terms energy: -867.373399
where:
bonds (distance) C4'-P energy: -163.299
bonds (distance) P-C4' energy: -148.227
flat angles C4'-P-C4' energy: -180.178
flat angles P-C4'-P energy: -130.832
tors. eta vs tors. theta energy: -244.837
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: 2
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -2670.896160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.896160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.245526 (E_RNA)
where:
Base-Base interactions energy: -1835.749
where: short stacking energy: -783.068
Base-Backbone interact. energy: -4.440
local terms energy: -833.055714
where:
bonds (distance) C4'-P energy: -152.832
bonds (distance) P-C4' energy: -144.583
flat angles C4'-P-C4' energy: -185.071
flat angles P-C4'-P energy: -117.925
tors. eta vs tors. theta energy: -232.644
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: 4, replica: 7
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -2576.944455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.944455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.546013 (E_RNA)
where:
Base-Base interactions energy: -1772.799
where: short stacking energy: -760.968
Base-Backbone interact. energy: -0.319
local terms energy: -805.428542
where:
bonds (distance) C4'-P energy: -148.478
bonds (distance) P-C4' energy: -151.709
flat angles C4'-P-C4' energy: -166.178
flat angles P-C4'-P energy: -115.982
tors. eta vs tors. theta energy: -223.081
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: 5, replica: 4
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -2456.728599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.728599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.991695 (E_RNA)
where:
Base-Base interactions energy: -1669.183
where: short stacking energy: -735.640
Base-Backbone interact. energy: -1.290
local terms energy: -788.518293
where:
bonds (distance) C4'-P energy: -165.775
bonds (distance) P-C4' energy: -141.676
flat angles C4'-P-C4' energy: -161.015
flat angles P-C4'-P energy: -101.496
tors. eta vs tors. theta energy: -218.557
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: 6, replica: 1
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -2235.698417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.698417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.131207 (E_RNA)
where:
Base-Base interactions energy: -1500.949
where: short stacking energy: -655.094
Base-Backbone interact. energy: 2.070
local terms energy: -738.252729
where:
bonds (distance) C4'-P energy: -142.211
bonds (distance) P-C4' energy: -137.063
flat angles C4'-P-C4' energy: -165.848
flat angles P-C4'-P energy: -111.563
tors. eta vs tors. theta energy: -181.567
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: 7, replica: 3
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -2172.021928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.021928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.303417 (E_RNA)
where:
Base-Base interactions energy: -1467.323
where: short stacking energy: -618.786
Base-Backbone interact. energy: 5.593
local terms energy: -712.573707
where:
bonds (distance) C4'-P energy: -141.523
bonds (distance) P-C4' energy: -144.195
flat angles C4'-P-C4' energy: -151.263
flat angles P-C4'-P energy: -110.205
tors. eta vs tors. theta energy: -165.387
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: 8, replica: 8
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -2002.114610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.114610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.947342 (E_RNA)
where:
Base-Base interactions energy: -1333.523
where: short stacking energy: -574.907
Base-Backbone interact. energy: -3.560
local terms energy: -667.864128
where:
bonds (distance) C4'-P energy: -137.722
bonds (distance) P-C4' energy: -149.171
flat angles C4'-P-C4' energy: -150.699
flat angles P-C4'-P energy: -86.770
tors. eta vs tors. theta energy: -143.502
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: 9, replica: 6
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -1974.720574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.720574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.832346 (E_RNA)
where:
Base-Base interactions energy: -1341.394
where: short stacking energy: -555.995
Base-Backbone interact. energy: -3.088
local terms energy: -633.350597
where:
bonds (distance) C4'-P energy: -140.241
bonds (distance) P-C4' energy: -123.974
flat angles C4'-P-C4' energy: -148.267
flat angles P-C4'-P energy: -84.611
tors. eta vs tors. theta energy: -136.259
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: 10, replica: 5
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -1852.071917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.071917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.487851 (E_RNA)
where:
Base-Base interactions energy: -1281.195
where: short stacking energy: -539.843
Base-Backbone interact. energy: 6.005
local terms energy: -579.297266
where:
bonds (distance) C4'-P energy: -129.141
bonds (distance) P-C4' energy: -116.857
flat angles C4'-P-C4' energy: -140.214
flat angles P-C4'-P energy: -72.354
tors. eta vs tors. theta energy: -120.731
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: 1, replica: 9
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -2853.935059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2853.935059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2855.742681 (E_RNA)
where:
Base-Base interactions energy: -1955.767
where: short stacking energy: -843.228
Base-Backbone interact. energy: 1.114
local terms energy: -901.089512
where:
bonds (distance) C4'-P energy: -157.503
bonds (distance) P-C4' energy: -164.573
flat angles C4'-P-C4' energy: -193.752
flat angles P-C4'-P energy: -133.569
tors. eta vs tors. theta energy: -251.692
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: 2, replica: 10
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -2749.253621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.253621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.527048 (E_RNA)
where:
Base-Base interactions energy: -1876.970
where: short stacking energy: -842.061
Base-Backbone interact. energy: -0.266
local terms energy: -874.290750
where:
bonds (distance) C4'-P energy: -155.061
bonds (distance) P-C4' energy: -157.958
flat angles C4'-P-C4' energy: -192.446
flat angles P-C4'-P energy: -129.026
tors. eta vs tors. theta energy: -239.800
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: 3, replica: 2
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -2673.007304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.007304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.784826 (E_RNA)
where:
Base-Base interactions energy: -1819.964
where: short stacking energy: -757.929
Base-Backbone interact. energy: 0.555
local terms energy: -855.375181
where:
bonds (distance) C4'-P energy: -146.539
bonds (distance) P-C4' energy: -168.852
flat angles C4'-P-C4' energy: -187.203
flat angles P-C4'-P energy: -124.657
tors. eta vs tors. theta energy: -228.124
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: 4, replica: 7
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -2540.745827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.745827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.487658 (E_RNA)
where:
Base-Base interactions energy: -1729.929
where: short stacking energy: -742.138
Base-Backbone interact. energy: 5.697
local terms energy: -819.255398
where:
bonds (distance) C4'-P energy: -156.109
bonds (distance) P-C4' energy: -157.243
flat angles C4'-P-C4' energy: -181.720
flat angles P-C4'-P energy: -109.736
tors. eta vs tors. theta energy: -214.447
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: 5, replica: 4
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -2403.835445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.835445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.285780 (E_RNA)
where:
Base-Base interactions energy: -1627.903
where: short stacking energy: -717.883
Base-Backbone interact. energy: 0.006
local terms energy: -780.388831
where:
bonds (distance) C4'-P energy: -146.517
bonds (distance) P-C4' energy: -146.712
flat angles C4'-P-C4' energy: -158.928
flat angles P-C4'-P energy: -129.535
tors. eta vs tors. theta energy: -198.696
Dist. restrs. and SS energy: 4.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -2255.363724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.363724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.622972 (E_RNA)
where:
Base-Base interactions energy: -1530.982
where: short stacking energy: -697.029
Base-Backbone interact. energy: 0.004
local terms energy: -726.644283
where:
bonds (distance) C4'-P energy: -124.108
bonds (distance) P-C4' energy: -139.393
flat angles C4'-P-C4' energy: -151.625
flat angles P-C4'-P energy: -105.879
tors. eta vs tors. theta energy: -205.640
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: 7, replica: 3
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -2145.942732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.942732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.968353 (E_RNA)
where:
Base-Base interactions energy: -1445.741
where: short stacking energy: -580.395
Base-Backbone interact. energy: 3.884
local terms energy: -708.111393
where:
bonds (distance) C4'-P energy: -138.800
bonds (distance) P-C4' energy: -156.997
flat angles C4'-P-C4' energy: -141.804
flat angles P-C4'-P energy: -110.677
tors. eta vs tors. theta energy: -159.833
Dist. restrs. and SS energy: 4.026 (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: 8
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -2028.074883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.074883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.551736 (E_RNA)
where:
Base-Base interactions energy: -1356.675
where: short stacking energy: -575.752
Base-Backbone interact. energy: 1.880
local terms energy: -675.756679
where:
bonds (distance) C4'-P energy: -112.438
bonds (distance) P-C4' energy: -141.736
flat angles C4'-P-C4' energy: -167.105
flat angles P-C4'-P energy: -90.896
tors. eta vs tors. theta energy: -163.582
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: 9, replica: 6
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -1972.529481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.529481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.726677 (E_RNA)
where:
Base-Base interactions energy: -1323.911
where: short stacking energy: -568.184
Base-Backbone interact. energy: -3.247
local terms energy: -647.568590
where:
bonds (distance) C4'-P energy: -111.016
bonds (distance) P-C4' energy: -137.332
flat angles C4'-P-C4' energy: -147.835
flat angles P-C4'-P energy: -96.696
tors. eta vs tors. theta energy: -154.690
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: 10, replica: 5
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -1931.119519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.119519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.909292 (E_RNA)
where:
Base-Base interactions energy: -1307.956
where: short stacking energy: -545.972
Base-Backbone interact. energy: -1.954
local terms energy: -623.999080
where:
bonds (distance) C4'-P energy: -106.722
bonds (distance) P-C4' energy: -124.630
flat angles C4'-P-C4' energy: -146.710
flat angles P-C4'-P energy: -94.770
tors. eta vs tors. theta energy: -151.166
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: 225
Temperature: 0.900000
Total energy: -2832.764835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.764835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2834.553755 (E_RNA)
where:
Base-Base interactions energy: -1954.477
where: short stacking energy: -839.475
Base-Backbone interact. energy: 1.770
local terms energy: -881.846479
where:
bonds (distance) C4'-P energy: -166.846
bonds (distance) P-C4' energy: -152.203
flat angles C4'-P-C4' energy: -188.850
flat angles P-C4'-P energy: -116.341
tors. eta vs tors. theta energy: -257.607
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: 2, replica: 10
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -2754.282893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.282893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.407340 (E_RNA)
where:
Base-Base interactions energy: -1890.650
where: short stacking energy: -842.319
Base-Backbone interact. energy: -3.573
local terms energy: -862.183896
where:
bonds (distance) C4'-P energy: -151.221
bonds (distance) P-C4' energy: -163.950
flat angles C4'-P-C4' energy: -180.679
flat angles P-C4'-P energy: -136.316
tors. eta vs tors. theta energy: -230.018
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: 3, replica: 2
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -2636.676277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.676277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.846069 (E_RNA)
where:
Base-Base interactions energy: -1806.691
where: short stacking energy: -762.184
Base-Backbone interact. energy: 0.232
local terms energy: -832.387014
where:
bonds (distance) C4'-P energy: -149.649
bonds (distance) P-C4' energy: -144.969
flat angles C4'-P-C4' energy: -184.587
flat angles P-C4'-P energy: -124.565
tors. eta vs tors. theta energy: -228.618
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: 4, replica: 7
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -2548.886300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.886300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.541530 (E_RNA)
where:
Base-Base interactions energy: -1750.006
where: short stacking energy: -770.826
Base-Backbone interact. energy: 3.932
local terms energy: -804.468199
where:
bonds (distance) C4'-P energy: -143.613
bonds (distance) P-C4' energy: -152.691
flat angles C4'-P-C4' energy: -176.229
flat angles P-C4'-P energy: -114.847
tors. eta vs tors. theta energy: -217.088
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: 5, replica: 4
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -2405.455462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.455462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.185365 (E_RNA)
where:
Base-Base interactions energy: -1618.552
where: short stacking energy: -687.250
Base-Backbone interact. energy: -3.305
local terms energy: -787.328501
where:
bonds (distance) C4'-P energy: -152.135
bonds (distance) P-C4' energy: -142.797
flat angles C4'-P-C4' energy: -177.216
flat angles P-C4'-P energy: -115.787
tors. eta vs tors. theta energy: -199.394
Dist. restrs. and SS energy: 3.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -2269.042897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.042897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.224769 (E_RNA)
where:
Base-Base interactions energy: -1540.505
where: short stacking energy: -645.193
Base-Backbone interact. energy: -4.392
local terms energy: -726.327425
where:
bonds (distance) C4'-P energy: -138.466
bonds (distance) P-C4' energy: -146.381
flat angles C4'-P-C4' energy: -160.768
flat angles P-C4'-P energy: -92.417
tors. eta vs tors. theta energy: -188.294
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: 7, replica: 3
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -2200.374268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.374268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.588156 (E_RNA)
where:
Base-Base interactions energy: -1491.838
where: short stacking energy: -636.404
Base-Backbone interact. energy: -3.310
local terms energy: -707.439946
where:
bonds (distance) C4'-P energy: -130.665
bonds (distance) P-C4' energy: -143.865
flat angles C4'-P-C4' energy: -156.970
flat angles P-C4'-P energy: -96.882
tors. eta vs tors. theta energy: -179.058
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: 6
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -2028.847760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.847760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.246802 (E_RNA)
where:
Base-Base interactions energy: -1373.705
where: short stacking energy: -570.281
Base-Backbone interact. energy: 4.856
local terms energy: -663.397298
where:
bonds (distance) C4'-P energy: -114.340
bonds (distance) P-C4' energy: -154.848
flat angles C4'-P-C4' energy: -135.120
flat angles P-C4'-P energy: -94.592
tors. eta vs tors. theta energy: -164.497
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: 225
Temperature: 1.300000
Total energy: -1952.687677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.687677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.488255 (E_RNA)
where:
Base-Base interactions energy: -1306.815
where: short stacking energy: -532.597
Base-Backbone interact. energy: 4.328
local terms energy: -652.001275
where:
bonds (distance) C4'-P energy: -137.054
bonds (distance) P-C4' energy: -132.434
flat angles C4'-P-C4' energy: -149.083
flat angles P-C4'-P energy: -96.729
tors. eta vs tors. theta energy: -136.700
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: 225
Temperature: 1.350000
Total energy: -1890.027533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.027533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.057672 (E_RNA)
where:
Base-Base interactions energy: -1288.205
where: short stacking energy: -540.997
Base-Backbone interact. energy: -1.703
local terms energy: -603.150022
where:
bonds (distance) C4'-P energy: -121.431
bonds (distance) P-C4' energy: -126.181
flat angles C4'-P-C4' energy: -144.706
flat angles P-C4'-P energy: -82.310
tors. eta vs tors. theta energy: -128.522
Dist. restrs. and SS energy: 3.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -2863.349864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2863.349864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2864.521697 (E_RNA)
where:
Base-Base interactions energy: -1970.275
where: short stacking energy: -861.647
Base-Backbone interact. energy: -5.495
local terms energy: -888.752488
where:
bonds (distance) C4'-P energy: -153.936
bonds (distance) P-C4' energy: -163.611
flat angles C4'-P-C4' energy: -195.942
flat angles P-C4'-P energy: -118.380
tors. eta vs tors. theta energy: -256.883
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: 2, replica: 10
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -2698.355380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.355380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.851072 (E_RNA)
where:
Base-Base interactions energy: -1845.026
where: short stacking energy: -787.450
Base-Backbone interact. energy: 2.836
local terms energy: -858.661758
where:
bonds (distance) C4'-P energy: -159.894
bonds (distance) P-C4' energy: -177.322
flat angles C4'-P-C4' energy: -181.884
flat angles P-C4'-P energy: -112.209
tors. eta vs tors. theta energy: -227.353
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: 3, replica: 2
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -2627.612799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.612799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.417481 (E_RNA)
where:
Base-Base interactions energy: -1815.968
where: short stacking energy: -782.277
Base-Backbone interact. energy: -1.402
local terms energy: -812.047141
where:
bonds (distance) C4'-P energy: -153.295
bonds (distance) P-C4' energy: -151.365
flat angles C4'-P-C4' energy: -167.280
flat angles P-C4'-P energy: -109.233
tors. eta vs tors. theta energy: -230.874
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: 4, replica: 7
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -2554.417311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.417311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.866294 (E_RNA)
where:
Base-Base interactions energy: -1748.207
where: short stacking energy: -735.074
Base-Backbone interact. energy: -2.322
local terms energy: -805.337300
where:
bonds (distance) C4'-P energy: -149.427
bonds (distance) P-C4' energy: -169.681
flat angles C4'-P-C4' energy: -175.099
flat angles P-C4'-P energy: -106.412
tors. eta vs tors. theta energy: -204.719
Dist. restrs. and SS energy: 1.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -2379.657683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.657683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.794166 (E_RNA)
where:
Base-Base interactions energy: -1619.730
where: short stacking energy: -707.208
Base-Backbone interact. energy: -2.251
local terms energy: -759.813229
where:
bonds (distance) C4'-P energy: -143.625
bonds (distance) P-C4' energy: -170.155
flat angles C4'-P-C4' energy: -144.171
flat angles P-C4'-P energy: -105.299
tors. eta vs tors. theta energy: -196.564
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: 4
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -2259.680025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.680025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.543477 (E_RNA)
where:
Base-Base interactions energy: -1557.898
where: short stacking energy: -654.751
Base-Backbone interact. energy: 0.518
local terms energy: -705.163806
where:
bonds (distance) C4'-P energy: -140.050
bonds (distance) P-C4' energy: -140.721
flat angles C4'-P-C4' energy: -160.640
flat angles P-C4'-P energy: -92.554
tors. eta vs tors. theta energy: -171.199
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: 7, replica: 3
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -2178.326130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.326130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.200482 (E_RNA)
where:
Base-Base interactions energy: -1486.111
where: short stacking energy: -605.119
Base-Backbone interact. energy: -2.280
local terms energy: -692.809174
where:
bonds (distance) C4'-P energy: -135.716
bonds (distance) P-C4' energy: -151.947
flat angles C4'-P-C4' energy: -147.868
flat angles P-C4'-P energy: -99.159
tors. eta vs tors. theta energy: -158.119
Dist. restrs. and SS energy: 2.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -2024.621765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.621765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.584309 (E_RNA)
where:
Base-Base interactions energy: -1332.201
where: short stacking energy: -546.891
Base-Backbone interact. energy: -1.759
local terms energy: -693.624007
where:
bonds (distance) C4'-P energy: -133.059
bonds (distance) P-C4' energy: -148.326
flat angles C4'-P-C4' energy: -141.405
flat angles P-C4'-P energy: -112.245
tors. eta vs tors. theta energy: -158.590
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: 9, replica: 8
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -1950.957208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.957208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.521133 (E_RNA)
where:
Base-Base interactions energy: -1328.158
where: short stacking energy: -586.222
Base-Backbone interact. energy: -1.204
local terms energy: -625.158325
where:
bonds (distance) C4'-P energy: -123.891
bonds (distance) P-C4' energy: -112.893
flat angles C4'-P-C4' energy: -162.174
flat angles P-C4'-P energy: -92.666
tors. eta vs tors. theta energy: -133.534
Dist. restrs. and SS energy: 3.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -1918.208563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.208563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.883282 (E_RNA)
where:
Base-Base interactions energy: -1313.124
where: short stacking energy: -559.315
Base-Backbone interact. energy: 1.476
local terms energy: -610.235281
where:
bonds (distance) C4'-P energy: -110.917
bonds (distance) P-C4' energy: -134.081
flat angles C4'-P-C4' energy: -118.852
flat angles P-C4'-P energy: -96.673
tors. eta vs tors. theta energy: -149.713
Dist. restrs. and SS energy: 3.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -2887.383607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2887.383607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2888.461502 (E_RNA)
where:
Base-Base interactions energy: -2008.466
where: short stacking energy: -858.706
Base-Backbone interact. energy: 3.042
local terms energy: -883.036618
where:
bonds (distance) C4'-P energy: -154.268
bonds (distance) P-C4' energy: -160.910
flat angles C4'-P-C4' energy: -191.558
flat angles P-C4'-P energy: -122.348
tors. eta vs tors. theta energy: -253.952
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: 2, replica: 10
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -2800.249764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.249764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.806091 (E_RNA)
where:
Base-Base interactions energy: -1910.448
where: short stacking energy: -834.563
Base-Backbone interact. energy: -3.447
local terms energy: -887.910326
where:
bonds (distance) C4'-P energy: -155.127
bonds (distance) P-C4' energy: -172.097
flat angles C4'-P-C4' energy: -181.398
flat angles P-C4'-P energy: -128.284
tors. eta vs tors. theta energy: -251.005
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: 3, replica: 2
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -2615.633082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.633082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.267979 (E_RNA)
where:
Base-Base interactions energy: -1783.011
where: short stacking energy: -756.628
Base-Backbone interact. energy: -0.136
local terms energy: -834.121063
where:
bonds (distance) C4'-P energy: -153.856
bonds (distance) P-C4' energy: -157.741
flat angles C4'-P-C4' energy: -175.073
flat angles P-C4'-P energy: -120.736
tors. eta vs tors. theta energy: -226.715
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: 4, replica: 7
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -2533.971422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.971422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.952385 (E_RNA)
where:
Base-Base interactions energy: -1752.792
where: short stacking energy: -723.837
Base-Backbone interact. energy: 3.347
local terms energy: -785.507962
where:
bonds (distance) C4'-P energy: -147.811
bonds (distance) P-C4' energy: -140.393
flat angles C4'-P-C4' energy: -173.102
flat angles P-C4'-P energy: -97.879
tors. eta vs tors. theta energy: -226.323
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: 5, replica: 1
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -2307.137692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.137692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.456624 (E_RNA)
where:
Base-Base interactions energy: -1594.008
where: short stacking energy: -686.141
Base-Backbone interact. energy: -1.531
local terms energy: -713.917407
where:
bonds (distance) C4'-P energy: -134.889
bonds (distance) P-C4' energy: -132.844
flat angles C4'-P-C4' energy: -168.484
flat angles P-C4'-P energy: -85.208
tors. eta vs tors. theta energy: -192.493
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: 6, replica: 3
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -2229.801529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.801529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.448310 (E_RNA)
where:
Base-Base interactions energy: -1513.835
where: short stacking energy: -649.415
Base-Backbone interact. energy: -1.634
local terms energy: -716.978438
where:
bonds (distance) C4'-P energy: -110.800
bonds (distance) P-C4' energy: -154.970
flat angles C4'-P-C4' energy: -171.809
flat angles P-C4'-P energy: -99.990
tors. eta vs tors. theta energy: -179.409
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: 4
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -2174.424697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.424697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.399574 (E_RNA)
where:
Base-Base interactions energy: -1489.478
where: short stacking energy: -596.304
Base-Backbone interact. energy: 1.833
local terms energy: -688.754752
where:
bonds (distance) C4'-P energy: -130.479
bonds (distance) P-C4' energy: -141.294
flat angles C4'-P-C4' energy: -155.874
flat angles P-C4'-P energy: -101.212
tors. eta vs tors. theta energy: -159.896
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: 8, replica: 8
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -2043.905306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.905306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.965134 (E_RNA)
where:
Base-Base interactions energy: -1412.015
where: short stacking energy: -579.085
Base-Backbone interact. energy: -0.577
local terms energy: -633.373032
where:
bonds (distance) C4'-P energy: -145.812
bonds (distance) P-C4' energy: -145.406
flat angles C4'-P-C4' energy: -121.013
flat angles P-C4'-P energy: -87.359
tors. eta vs tors. theta energy: -133.783
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: 9, replica: 6
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -1966.424020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.424020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.254154 (E_RNA)
where:
Base-Base interactions energy: -1344.255
where: short stacking energy: -566.869
Base-Backbone interact. energy: 2.778
local terms energy: -626.777649
where:
bonds (distance) C4'-P energy: -115.154
bonds (distance) P-C4' energy: -118.448
flat angles C4'-P-C4' energy: -149.858
flat angles P-C4'-P energy: -84.906
tors. eta vs tors. theta energy: -158.412
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: 10, replica: 5
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -1895.142525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.142525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.781542 (E_RNA)
where:
Base-Base interactions energy: -1342.450
where: short stacking energy: -553.038
Base-Backbone interact. energy: 1.078
local terms energy: -556.409435
where:
bonds (distance) C4'-P energy: -106.615
bonds (distance) P-C4' energy: -114.914
flat angles C4'-P-C4' energy: -137.816
flat angles P-C4'-P energy: -67.326
tors. eta vs tors. theta energy: -129.739
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: 1, replica: 9
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -2892.441258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2892.441258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2894.003663 (E_RNA)
where:
Base-Base interactions energy: -1965.344
where: short stacking energy: -856.930
Base-Backbone interact. energy: -0.921
local terms energy: -927.738447
where:
bonds (distance) C4'-P energy: -165.432
bonds (distance) P-C4' energy: -172.941
flat angles C4'-P-C4' energy: -200.576
flat angles P-C4'-P energy: -131.399
tors. eta vs tors. theta energy: -257.391
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: 2, replica: 10
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -2749.938994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.938994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.644451 (E_RNA)
where:
Base-Base interactions energy: -1908.840
where: short stacking energy: -823.535
Base-Backbone interact. energy: -4.824
local terms energy: -838.980871
where:
bonds (distance) C4'-P energy: -139.344
bonds (distance) P-C4' energy: -159.972
flat angles C4'-P-C4' energy: -178.618
flat angles P-C4'-P energy: -125.297
tors. eta vs tors. theta energy: -235.749
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: 3, replica: 2
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -2615.698311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.698311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.433640 (E_RNA)
where:
Base-Base interactions energy: -1795.453
where: short stacking energy: -760.290
Base-Backbone interact. energy: 4.880
local terms energy: -826.860108
where:
bonds (distance) C4'-P energy: -154.551
bonds (distance) P-C4' energy: -167.203
flat angles C4'-P-C4' energy: -171.806
flat angles P-C4'-P energy: -107.460
tors. eta vs tors. theta energy: -225.840
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: 4, replica: 7
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -2565.020338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.020338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.859595 (E_RNA)
where:
Base-Base interactions energy: -1767.370
where: short stacking energy: -742.839
Base-Backbone interact. energy: -2.407
local terms energy: -797.082474
where:
bonds (distance) C4'-P energy: -141.962
bonds (distance) P-C4' energy: -151.514
flat angles C4'-P-C4' energy: -165.646
flat angles P-C4'-P energy: -119.141
tors. eta vs tors. theta energy: -218.820
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: 5, replica: 1
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -2291.756102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.756102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.135738 (E_RNA)
where:
Base-Base interactions energy: -1556.755
where: short stacking energy: -687.419
Base-Backbone interact. energy: 3.402
local terms energy: -739.783311
where:
bonds (distance) C4'-P energy: -156.609
bonds (distance) P-C4' energy: -126.386
flat angles C4'-P-C4' energy: -159.675
flat angles P-C4'-P energy: -105.453
tors. eta vs tors. theta energy: -191.661
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: 6, replica: 3
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -2233.445492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.445492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.546873 (E_RNA)
where:
Base-Base interactions energy: -1508.755
where: short stacking energy: -612.772
Base-Backbone interact. energy: -1.355
local terms energy: -724.436467
where:
bonds (distance) C4'-P energy: -144.306
bonds (distance) P-C4' energy: -149.623
flat angles C4'-P-C4' energy: -164.940
flat angles P-C4'-P energy: -95.235
tors. eta vs tors. theta energy: -170.333
Dist. restrs. and SS energy: 1.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -2175.850309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.850309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.979318 (E_RNA)
where:
Base-Base interactions energy: -1497.061
where: short stacking energy: -618.734
Base-Backbone interact. energy: -5.002
local terms energy: -676.916153
where:
bonds (distance) C4'-P energy: -129.823
bonds (distance) P-C4' energy: -138.021
flat angles C4'-P-C4' energy: -141.250
flat angles P-C4'-P energy: -110.089
tors. eta vs tors. theta energy: -157.734
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: 8, replica: 8
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -2022.195259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.195259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.224277 (E_RNA)
where:
Base-Base interactions energy: -1375.441
where: short stacking energy: -603.478
Base-Backbone interact. energy: -0.746
local terms energy: -649.036929
where:
bonds (distance) C4'-P energy: -115.540
bonds (distance) P-C4' energy: -126.841
flat angles C4'-P-C4' energy: -153.366
flat angles P-C4'-P energy: -89.977
tors. eta vs tors. theta energy: -163.313
Dist. restrs. and SS energy: 3.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -1966.872591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.872591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.673809 (E_RNA)
where:
Base-Base interactions energy: -1326.098
where: short stacking energy: -541.101
Base-Backbone interact. energy: 9.354
local terms energy: -653.930117
where:
bonds (distance) C4'-P energy: -143.098
bonds (distance) P-C4' energy: -123.665
flat angles C4'-P-C4' energy: -134.422
flat angles P-C4'-P energy: -97.573
tors. eta vs tors. theta energy: -155.173
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: 10, replica: 5
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -1877.676416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.676416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.202673 (E_RNA)
where:
Base-Base interactions energy: -1287.943
where: short stacking energy: -542.306
Base-Backbone interact. energy: 3.181
local terms energy: -596.440532
where:
bonds (distance) C4'-P energy: -129.678
bonds (distance) P-C4' energy: -133.747
flat angles C4'-P-C4' energy: -129.873
flat angles P-C4'-P energy: -72.090
tors. eta vs tors. theta energy: -131.053
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: 1, replica: 9
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -2853.228619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2853.228619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2854.489181 (E_RNA)
where:
Base-Base interactions energy: -1972.939
where: short stacking energy: -845.869
Base-Backbone interact. energy: -3.525
local terms energy: -878.025771
where:
bonds (distance) C4'-P energy: -165.105
bonds (distance) P-C4' energy: -165.318
flat angles C4'-P-C4' energy: -184.810
flat angles P-C4'-P energy: -118.762
tors. eta vs tors. theta energy: -244.031
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: 10
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -2774.130479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.130479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.035445 (E_RNA)
where:
Base-Base interactions energy: -1869.538
where: short stacking energy: -827.579
Base-Backbone interact. energy: -2.194
local terms energy: -904.303675
where:
bonds (distance) C4'-P energy: -157.845
bonds (distance) P-C4' energy: -172.003
flat angles C4'-P-C4' energy: -189.998
flat angles P-C4'-P energy: -145.191
tors. eta vs tors. theta energy: -239.267
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: 3, replica: 2
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -2653.553251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.553251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.309926 (E_RNA)
where:
Base-Base interactions energy: -1808.888
where: short stacking energy: -767.632
Base-Backbone interact. energy: -3.359
local terms energy: -843.062969
where:
bonds (distance) C4'-P energy: -159.896
bonds (distance) P-C4' energy: -154.440
flat angles C4'-P-C4' energy: -183.684
flat angles P-C4'-P energy: -119.199
tors. eta vs tors. theta energy: -225.844
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: 4, replica: 7
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -2588.802426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.802426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.887974 (E_RNA)
where:
Base-Base interactions energy: -1780.315
where: short stacking energy: -734.059
Base-Backbone interact. energy: -2.667
local terms energy: -806.906620
where:
bonds (distance) C4'-P energy: -153.501
bonds (distance) P-C4' energy: -158.065
flat angles C4'-P-C4' energy: -173.595
flat angles P-C4'-P energy: -114.932
tors. eta vs tors. theta energy: -206.813
Dist. restrs. and SS energy: 1.086 (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: 1
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -2344.292170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.292170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.580137 (E_RNA)
where:
Base-Base interactions energy: -1589.224
where: short stacking energy: -665.795
Base-Backbone interact. energy: -1.231
local terms energy: -756.125571
where:
bonds (distance) C4'-P energy: -132.944
bonds (distance) P-C4' energy: -132.242
flat angles C4'-P-C4' energy: -170.846
flat angles P-C4'-P energy: -123.546
tors. eta vs tors. theta energy: -196.547
Dist. restrs. and SS energy: 2.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -2233.664580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.664580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.121587 (E_RNA)
where:
Base-Base interactions energy: -1550.847
where: short stacking energy: -622.876
Base-Backbone interact. energy: -4.106
local terms energy: -681.169099
where:
bonds (distance) C4'-P energy: -126.122
bonds (distance) P-C4' energy: -148.844
flat angles C4'-P-C4' energy: -144.172
flat angles P-C4'-P energy: -96.670
tors. eta vs tors. theta energy: -165.361
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: 7, replica: 4
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -2222.358671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.358671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.448184 (E_RNA)
where:
Base-Base interactions energy: -1496.815
where: short stacking energy: -619.219
Base-Backbone interact. energy: -2.289
local terms energy: -727.344217
where:
bonds (distance) C4'-P energy: -141.498
bonds (distance) P-C4' energy: -150.699
flat angles C4'-P-C4' energy: -159.038
flat angles P-C4'-P energy: -108.600
tors. eta vs tors. theta energy: -167.510
Dist. restrs. and SS energy: 4.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -1977.969090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.969090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.389594 (E_RNA)
where:
Base-Base interactions energy: -1384.782
where: short stacking energy: -572.687
Base-Backbone interact. energy: 1.155
local terms energy: -598.762850
where:
bonds (distance) C4'-P energy: -118.877
bonds (distance) P-C4' energy: -118.305
flat angles C4'-P-C4' energy: -134.708
flat angles P-C4'-P energy: -94.869
tors. eta vs tors. theta energy: -132.003
Dist. restrs. and SS energy: 4.421 (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: 6
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -1979.201739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.201739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.656415 (E_RNA)
where:
Base-Base interactions energy: -1357.533
where: short stacking energy: -583.710
Base-Backbone interact. energy: 4.004
local terms energy: -628.127368
where:
bonds (distance) C4'-P energy: -117.003
bonds (distance) P-C4' energy: -133.542
flat angles C4'-P-C4' energy: -141.232
flat angles P-C4'-P energy: -93.036
tors. eta vs tors. theta energy: -143.314
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: 10, replica: 5
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -1853.543904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.543904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.382207 (E_RNA)
where:
Base-Base interactions energy: -1243.655
where: short stacking energy: -504.243
Base-Backbone interact. energy: -3.646
local terms energy: -609.080853
where:
bonds (distance) C4'-P energy: -119.948
bonds (distance) P-C4' energy: -124.513
flat angles C4'-P-C4' energy: -152.981
flat angles P-C4'-P energy: -77.860
tors. eta vs tors. theta energy: -133.779
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: 1, replica: 9
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -2845.954480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2845.954480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2847.473346 (E_RNA)
where:
Base-Base interactions energy: -1955.659
where: short stacking energy: -838.487
Base-Backbone interact. energy: -5.141
local terms energy: -886.673242
where:
bonds (distance) C4'-P energy: -159.301
bonds (distance) P-C4' energy: -161.250
flat angles C4'-P-C4' energy: -189.350
flat angles P-C4'-P energy: -125.290
tors. eta vs tors. theta energy: -251.482
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: 10
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -2780.555408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.555408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.342496 (E_RNA)
where:
Base-Base interactions energy: -1906.048
where: short stacking energy: -829.674
Base-Backbone interact. energy: 1.357
local terms energy: -878.651918
where:
bonds (distance) C4'-P energy: -156.835
bonds (distance) P-C4' energy: -169.558
flat angles C4'-P-C4' energy: -177.089
flat angles P-C4'-P energy: -114.995
tors. eta vs tors. theta energy: -260.174
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: 3, replica: 2
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -2655.556322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.556322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.956615 (E_RNA)
where:
Base-Base interactions energy: -1841.029
where: short stacking energy: -819.223
Base-Backbone interact. energy: -2.435
local terms energy: -813.492623
where:
bonds (distance) C4'-P energy: -155.022
bonds (distance) P-C4' energy: -140.017
flat angles C4'-P-C4' energy: -189.853
flat angles P-C4'-P energy: -110.148
tors. eta vs tors. theta energy: -218.452
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: 7
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -2593.214997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.214997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.267156 (E_RNA)
where:
Base-Base interactions energy: -1810.021
where: short stacking energy: -755.703
Base-Backbone interact. energy: -3.377
local terms energy: -783.869375
where:
bonds (distance) C4'-P energy: -152.537
bonds (distance) P-C4' energy: -145.560
flat angles C4'-P-C4' energy: -159.792
flat angles P-C4'-P energy: -114.457
tors. eta vs tors. theta energy: -211.524
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: 5, replica: 1
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -2303.058764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.058764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.642306 (E_RNA)
where:
Base-Base interactions energy: -1533.275
where: short stacking energy: -709.545
Base-Backbone interact. energy: -1.018
local terms energy: -770.349306
where:
bonds (distance) C4'-P energy: -140.881
bonds (distance) P-C4' energy: -132.407
flat angles C4'-P-C4' energy: -159.419
flat angles P-C4'-P energy: -126.123
tors. eta vs tors. theta energy: -211.519
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: 6, replica: 3
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -2187.685097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.685097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.393764 (E_RNA)
where:
Base-Base interactions energy: -1471.253
where: short stacking energy: -622.332
Base-Backbone interact. energy: 2.021
local terms energy: -725.161608
where:
bonds (distance) C4'-P energy: -130.945
bonds (distance) P-C4' energy: -142.116
flat angles C4'-P-C4' energy: -159.496
flat angles P-C4'-P energy: -120.559
tors. eta vs tors. theta energy: -172.046
Dist. restrs. and SS energy: 6.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -2257.713706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.713706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.888129 (E_RNA)
where:
Base-Base interactions energy: -1563.501
where: short stacking energy: -605.907
Base-Backbone interact. energy: -3.009
local terms energy: -694.377841
where:
bonds (distance) C4'-P energy: -128.858
bonds (distance) P-C4' energy: -137.242
flat angles C4'-P-C4' energy: -162.089
flat angles P-C4'-P energy: -106.201
tors. eta vs tors. theta energy: -159.988
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: 8, replica: 8
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -2008.888650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.888650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.708390 (E_RNA)
where:
Base-Base interactions energy: -1344.176
where: short stacking energy: -580.519
Base-Backbone interact. energy: -0.871
local terms energy: -666.660693
where:
bonds (distance) C4'-P energy: -136.194
bonds (distance) P-C4' energy: -120.101
flat angles C4'-P-C4' energy: -144.785
flat angles P-C4'-P energy: -112.657
tors. eta vs tors. theta energy: -152.924
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: 9, replica: 5
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -1869.015726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.015726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.350464 (E_RNA)
where:
Base-Base interactions energy: -1261.694
where: short stacking energy: -523.789
Base-Backbone interact. energy: -1.065
local terms energy: -612.591456
where:
bonds (distance) C4'-P energy: -117.432
bonds (distance) P-C4' energy: -126.044
flat angles C4'-P-C4' energy: -151.588
flat angles P-C4'-P energy: -93.987
tors. eta vs tors. theta energy: -123.540
Dist. restrs. and SS energy: 6.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -1870.417848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.417848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.233159 (E_RNA)
where:
Base-Base interactions energy: -1259.120
where: short stacking energy: -535.511
Base-Backbone interact. energy: 5.841
local terms energy: -626.953613
where:
bonds (distance) C4'-P energy: -136.833
bonds (distance) P-C4' energy: -141.813
flat angles C4'-P-C4' energy: -130.673
flat angles P-C4'-P energy: -89.876
tors. eta vs tors. theta energy: -127.759
Dist. restrs. and SS energy: 9.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -2862.422136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2862.422136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2863.950045 (E_RNA)
where:
Base-Base interactions energy: -1957.071
where: short stacking energy: -841.948
Base-Backbone interact. energy: -4.315
local terms energy: -902.563256
where:
bonds (distance) C4'-P energy: -153.804
bonds (distance) P-C4' energy: -171.737
flat angles C4'-P-C4' energy: -191.347
flat angles P-C4'-P energy: -132.753
tors. eta vs tors. theta energy: -252.923
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: 2, replica: 10
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -2737.136265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.136265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.265143 (E_RNA)
where:
Base-Base interactions energy: -1873.377
where: short stacking energy: -825.788
Base-Backbone interact. energy: -3.555
local terms energy: -861.333478
where:
bonds (distance) C4'-P energy: -158.281
bonds (distance) P-C4' energy: -145.226
flat angles C4'-P-C4' energy: -189.705
flat angles P-C4'-P energy: -128.371
tors. eta vs tors. theta energy: -239.750
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: 2
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -2627.912346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.912346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.462404 (E_RNA)
where:
Base-Base interactions energy: -1799.708
where: short stacking energy: -775.090
Base-Backbone interact. energy: -2.633
local terms energy: -828.121336
where:
bonds (distance) C4'-P energy: -164.825
bonds (distance) P-C4' energy: -153.287
flat angles C4'-P-C4' energy: -163.774
flat angles P-C4'-P energy: -121.441
tors. eta vs tors. theta energy: -224.795
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: 4, replica: 7
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -2570.516555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.516555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.235069 (E_RNA)
where:
Base-Base interactions energy: -1764.108
where: short stacking energy: -732.685
Base-Backbone interact. energy: 0.743
local terms energy: -808.870022
where:
bonds (distance) C4'-P energy: -150.564
bonds (distance) P-C4' energy: -163.927
flat angles C4'-P-C4' energy: -174.897
flat angles P-C4'-P energy: -110.207
tors. eta vs tors. theta energy: -209.275
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: 5, replica: 1
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -2317.427843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.427843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.061145 (E_RNA)
where:
Base-Base interactions energy: -1580.404
where: short stacking energy: -671.168
Base-Backbone interact. energy: 4.353
local terms energy: -743.009505
where:
bonds (distance) C4'-P energy: -144.247
bonds (distance) P-C4' energy: -140.193
flat angles C4'-P-C4' energy: -167.555
flat angles P-C4'-P energy: -114.059
tors. eta vs tors. theta energy: -176.956
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: 6, replica: 3
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -2253.933918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.933918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.944467 (E_RNA)
where:
Base-Base interactions energy: -1537.544
where: short stacking energy: -655.736
Base-Backbone interact. energy: 0.157
local terms energy: -718.557796
where:
bonds (distance) C4'-P energy: -144.307
bonds (distance) P-C4' energy: -139.312
flat angles C4'-P-C4' energy: -156.245
flat angles P-C4'-P energy: -110.706
tors. eta vs tors. theta energy: -167.988
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: 4
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -2173.889559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.889559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.392797 (E_RNA)
where:
Base-Base interactions energy: -1488.759
where: short stacking energy: -639.954
Base-Backbone interact. energy: -1.878
local terms energy: -687.755794
where:
bonds (distance) C4'-P energy: -121.133
bonds (distance) P-C4' energy: -142.803
flat angles C4'-P-C4' energy: -174.347
flat angles P-C4'-P energy: -91.644
tors. eta vs tors. theta energy: -157.830
Dist. restrs. and SS energy: 4.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -1999.881726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.881726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.929252 (E_RNA)
where:
Base-Base interactions energy: -1354.067
where: short stacking energy: -598.239
Base-Backbone interact. energy: 2.336
local terms energy: -652.198897
where:
bonds (distance) C4'-P energy: -129.869
bonds (distance) P-C4' energy: -136.662
flat angles C4'-P-C4' energy: -134.389
flat angles P-C4'-P energy: -90.818
tors. eta vs tors. theta energy: -160.461
Dist. restrs. and SS energy: 4.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -1916.997250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.997250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.330966 (E_RNA)
where:
Base-Base interactions energy: -1335.596
where: short stacking energy: -565.545
Base-Backbone interact. energy: 0.613
local terms energy: -584.348136
where:
bonds (distance) C4'-P energy: -106.552
bonds (distance) P-C4' energy: -132.145
flat angles C4'-P-C4' energy: -138.193
flat angles P-C4'-P energy: -84.771
tors. eta vs tors. theta energy: -122.688
Dist. restrs. and SS energy: 2.334 (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: 6
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -1916.347999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.347999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.255497 (E_RNA)
where:
Base-Base interactions energy: -1294.386
where: short stacking energy: -522.733
Base-Backbone interact. energy: -0.756
local terms energy: -625.113557
where:
bonds (distance) C4'-P energy: -131.082
bonds (distance) P-C4' energy: -148.493
flat angles C4'-P-C4' energy: -152.572
flat angles P-C4'-P energy: -61.966
tors. eta vs tors. theta energy: -131.000
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: 1, replica: 9
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -2854.563350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2854.563350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2855.824525 (E_RNA)
where:
Base-Base interactions energy: -1979.692
where: short stacking energy: -841.826
Base-Backbone interact. energy: 7.846
local terms energy: -883.978558
where:
bonds (distance) C4'-P energy: -158.787
bonds (distance) P-C4' energy: -151.459
flat angles C4'-P-C4' energy: -194.033
flat angles P-C4'-P energy: -126.282
tors. eta vs tors. theta energy: -253.418
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: 10
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -2735.432548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.432548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.579026 (E_RNA)
where:
Base-Base interactions energy: -1889.694
where: short stacking energy: -816.896
Base-Backbone interact. energy: -3.758
local terms energy: -844.126577
where:
bonds (distance) C4'-P energy: -149.312
bonds (distance) P-C4' energy: -163.334
flat angles C4'-P-C4' energy: -180.095
flat angles P-C4'-P energy: -116.219
tors. eta vs tors. theta energy: -235.167
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: 3, replica: 2
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -2667.399000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.399000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.548062 (E_RNA)
where:
Base-Base interactions energy: -1816.514
where: short stacking energy: -794.216
Base-Backbone interact. energy: -1.955
local terms energy: -850.079884
where:
bonds (distance) C4'-P energy: -153.839
bonds (distance) P-C4' energy: -165.999
flat angles C4'-P-C4' energy: -178.550
flat angles P-C4'-P energy: -117.382
tors. eta vs tors. theta energy: -234.311
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: 7
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -2540.990461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.990461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.653013 (E_RNA)
where:
Base-Base interactions energy: -1786.810
where: short stacking energy: -745.763
Base-Backbone interact. energy: 1.625
local terms energy: -757.468338
where:
bonds (distance) C4'-P energy: -130.836
bonds (distance) P-C4' energy: -141.056
flat angles C4'-P-C4' energy: -182.429
flat angles P-C4'-P energy: -97.422
tors. eta vs tors. theta energy: -205.726
Dist. restrs. and SS energy: 1.663 (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: 1
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -2306.747769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.747769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.356131 (E_RNA)
where:
Base-Base interactions energy: -1551.202
where: short stacking energy: -672.976
Base-Backbone interact. energy: 2.506
local terms energy: -760.660311
where:
bonds (distance) C4'-P energy: -136.258
bonds (distance) P-C4' energy: -153.777
flat angles C4'-P-C4' energy: -167.132
flat angles P-C4'-P energy: -115.114
tors. eta vs tors. theta energy: -188.379
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: 6, replica: 3
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -2231.528670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.528670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.992469 (E_RNA)
where:
Base-Base interactions energy: -1493.300
where: short stacking energy: -656.462
Base-Backbone interact. energy: -3.793
local terms energy: -737.899242
where:
bonds (distance) C4'-P energy: -132.252
bonds (distance) P-C4' energy: -145.217
flat angles C4'-P-C4' energy: -169.204
flat angles P-C4'-P energy: -98.647
tors. eta vs tors. theta energy: -192.579
Dist. restrs. and SS energy: 3.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -2112.558953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.558953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.466298 (E_RNA)
where:
Base-Base interactions energy: -1437.912
where: short stacking energy: -593.240
Base-Backbone interact. energy: -1.398
local terms energy: -675.156294
where:
bonds (distance) C4'-P energy: -136.915
bonds (distance) P-C4' energy: -138.022
flat angles C4'-P-C4' energy: -154.310
flat angles P-C4'-P energy: -92.504
tors. eta vs tors. theta energy: -153.406
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: 8, replica: 8
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -1993.359430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.359430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.160771 (E_RNA)
where:
Base-Base interactions energy: -1368.542
where: short stacking energy: -595.656
Base-Backbone interact. energy: -1.104
local terms energy: -626.513867
where:
bonds (distance) C4'-P energy: -99.426
bonds (distance) P-C4' energy: -141.392
flat angles C4'-P-C4' energy: -150.222
flat angles P-C4'-P energy: -86.967
tors. eta vs tors. theta energy: -148.507
Dist. restrs. and SS energy: 2.801 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -1919.822066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.822066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.547670 (E_RNA)
where:
Base-Base interactions energy: -1300.443
where: short stacking energy: -549.639
Base-Backbone interact. energy: 9.804
local terms energy: -631.909023
where:
bonds (distance) C4'-P energy: -132.386
bonds (distance) P-C4' energy: -127.179
flat angles C4'-P-C4' energy: -146.451
flat angles P-C4'-P energy: -84.800
tors. eta vs tors. theta energy: -141.093
Dist. restrs. and SS energy: 2.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -1899.293644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.293644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.825848 (E_RNA)
where:
Base-Base interactions energy: -1297.279
where: short stacking energy: -533.406
Base-Backbone interact. energy: -2.109
local terms energy: -603.437132
where:
bonds (distance) C4'-P energy: -117.019
bonds (distance) P-C4' energy: -143.552
flat angles C4'-P-C4' energy: -141.970
flat angles P-C4'-P energy: -69.108
tors. eta vs tors. theta energy: -131.787
Dist. restrs. and SS energy: 3.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -2847.345164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2847.345164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2850.357807 (E_RNA)
where:
Base-Base interactions energy: -1954.193
where: short stacking energy: -833.810
Base-Backbone interact. energy: -3.991
local terms energy: -892.174652
where:
bonds (distance) C4'-P energy: -155.076
bonds (distance) P-C4' energy: -169.561
flat angles C4'-P-C4' energy: -185.685
flat angles P-C4'-P energy: -130.990
tors. eta vs tors. theta energy: -250.863
Dist. restrs. and SS energy: 3.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -2706.617191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.617191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.561134 (E_RNA)
where:
Base-Base interactions energy: -1869.025
where: short stacking energy: -797.723
Base-Backbone interact. energy: -2.530
local terms energy: -836.005658
where:
bonds (distance) C4'-P energy: -149.453
bonds (distance) P-C4' energy: -163.198
flat angles C4'-P-C4' energy: -181.386
flat angles P-C4'-P energy: -115.729
tors. eta vs tors. theta energy: -226.239
Dist. restrs. and SS energy: 0.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -2644.490654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.490654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.053925 (E_RNA)
where:
Base-Base interactions energy: -1810.340
where: short stacking energy: -793.086
Base-Backbone interact. energy: -2.007
local terms energy: -834.706096
where:
bonds (distance) C4'-P energy: -142.118
bonds (distance) P-C4' energy: -158.147
flat angles C4'-P-C4' energy: -188.867
flat angles P-C4'-P energy: -110.986
tors. eta vs tors. theta energy: -234.588
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: 4, replica: 7
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -2624.487310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.487310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.722253 (E_RNA)
where:
Base-Base interactions energy: -1830.428
where: short stacking energy: -769.891
Base-Backbone interact. energy: -4.096
local terms energy: -791.198153
where:
bonds (distance) C4'-P energy: -158.981
bonds (distance) P-C4' energy: -126.908
flat angles C4'-P-C4' energy: -180.947
flat angles P-C4'-P energy: -108.105
tors. eta vs tors. theta energy: -216.257
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: 5, replica: 1
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -2286.425838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.425838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.105722 (E_RNA)
where:
Base-Base interactions energy: -1552.954
where: short stacking energy: -671.537
Base-Backbone interact. energy: -3.587
local terms energy: -732.564133
where:
bonds (distance) C4'-P energy: -134.228
bonds (distance) P-C4' energy: -152.241
flat angles C4'-P-C4' energy: -150.521
flat angles P-C4'-P energy: -112.741
tors. eta vs tors. theta energy: -182.833
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: 6, replica: 3
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -2194.386918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.386918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.674273 (E_RNA)
where:
Base-Base interactions energy: -1479.912
where: short stacking energy: -639.567
Base-Backbone interact. energy: 6.386
local terms energy: -723.148249
where:
bonds (distance) C4'-P energy: -129.084
bonds (distance) P-C4' energy: -131.306
flat angles C4'-P-C4' energy: -173.184
flat angles P-C4'-P energy: -102.142
tors. eta vs tors. theta energy: -187.432
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: 7, replica: 4
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -2131.903842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.903842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.802963 (E_RNA)
where:
Base-Base interactions energy: -1424.975
where: short stacking energy: -598.478
Base-Backbone interact. energy: -0.615
local terms energy: -710.213316
where:
bonds (distance) C4'-P energy: -133.467
bonds (distance) P-C4' energy: -163.432
flat angles C4'-P-C4' energy: -161.359
flat angles P-C4'-P energy: -89.784
tors. eta vs tors. theta energy: -162.171
Dist. restrs. and SS energy: 3.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -2042.253818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.253818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.406270 (E_RNA)
where:
Base-Base interactions energy: -1397.367
where: short stacking energy: -603.667
Base-Backbone interact. energy: 1.444
local terms energy: -648.484103
where:
bonds (distance) C4'-P energy: -106.505
bonds (distance) P-C4' energy: -149.890
flat angles C4'-P-C4' energy: -142.662
flat angles P-C4'-P energy: -90.217
tors. eta vs tors. theta energy: -159.211
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: 9, replica: 6
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -1908.289729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.289729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.327874 (E_RNA)
where:
Base-Base interactions energy: -1304.281
where: short stacking energy: -553.726
Base-Backbone interact. energy: -2.227
local terms energy: -604.820147
where:
bonds (distance) C4'-P energy: -141.660
bonds (distance) P-C4' energy: -114.064
flat angles C4'-P-C4' energy: -141.237
flat angles P-C4'-P energy: -76.303
tors. eta vs tors. theta energy: -131.555
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: 10, replica: 5
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -1858.935507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.935507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.385358 (E_RNA)
where:
Base-Base interactions energy: -1262.794
where: short stacking energy: -527.617
Base-Backbone interact. energy: 2.354
local terms energy: -600.945328
where:
bonds (distance) C4'-P energy: -116.610
bonds (distance) P-C4' energy: -151.244
flat angles C4'-P-C4' energy: -136.313
flat angles P-C4'-P energy: -64.168
tors. eta vs tors. theta energy: -132.610
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: 1, replica: 9
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -2872.179602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2872.179602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2874.959220 (E_RNA)
where:
Base-Base interactions energy: -1995.752
where: short stacking energy: -834.284
Base-Backbone interact. energy: -5.737
local terms energy: -873.470284
where:
bonds (distance) C4'-P energy: -155.924
bonds (distance) P-C4' energy: -165.185
flat angles C4'-P-C4' energy: -175.775
flat angles P-C4'-P energy: -124.379
tors. eta vs tors. theta energy: -252.207
Dist. restrs. and SS energy: 2.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -2740.544463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.544463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.245810 (E_RNA)
where:
Base-Base interactions energy: -1873.874
where: short stacking energy: -818.686
Base-Backbone interact. energy: -4.272
local terms energy: -864.100138
where:
bonds (distance) C4'-P energy: -151.872
bonds (distance) P-C4' energy: -169.728
flat angles C4'-P-C4' energy: -186.548
flat angles P-C4'-P energy: -121.325
tors. eta vs tors. theta energy: -234.628
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: 3, replica: 2
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -2630.699568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.699568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.442164 (E_RNA)
where:
Base-Base interactions energy: -1819.457
where: short stacking energy: -794.434
Base-Backbone interact. energy: -2.005
local terms energy: -810.979451
where:
bonds (distance) C4'-P energy: -137.908
bonds (distance) P-C4' energy: -150.987
flat angles C4'-P-C4' energy: -190.592
flat angles P-C4'-P energy: -110.403
tors. eta vs tors. theta energy: -221.090
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: 4, replica: 7
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -2578.700084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.700084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.169928 (E_RNA)
where:
Base-Base interactions energy: -1777.884
where: short stacking energy: -757.619
Base-Backbone interact. energy: -3.876
local terms energy: -799.409947
where:
bonds (distance) C4'-P energy: -156.732
bonds (distance) P-C4' energy: -145.458
flat angles C4'-P-C4' energy: -176.070
flat angles P-C4'-P energy: -108.673
tors. eta vs tors. theta energy: -212.477
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: 5, replica: 1
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -2342.942049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.942049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.284120 (E_RNA)
where:
Base-Base interactions energy: -1607.235
where: short stacking energy: -656.057
Base-Backbone interact. energy: 6.673
local terms energy: -744.722076
where:
bonds (distance) C4'-P energy: -139.079
bonds (distance) P-C4' energy: -141.073
flat angles C4'-P-C4' energy: -159.927
flat angles P-C4'-P energy: -110.540
tors. eta vs tors. theta energy: -194.103
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: 3
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -2206.028747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.028747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.705259 (E_RNA)
where:
Base-Base interactions energy: -1478.055
where: short stacking energy: -643.027
Base-Backbone interact. energy: 1.595
local terms energy: -731.244694
where:
bonds (distance) C4'-P energy: -143.009
bonds (distance) P-C4' energy: -137.072
flat angles C4'-P-C4' energy: -166.766
flat angles P-C4'-P energy: -102.898
tors. eta vs tors. theta energy: -181.499
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: 7, replica: 4
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -2103.052327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.052327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.712377 (E_RNA)
where:
Base-Base interactions energy: -1421.058
where: short stacking energy: -597.707
Base-Backbone interact. energy: -3.041
local terms energy: -684.614205
where:
bonds (distance) C4'-P energy: -132.783
bonds (distance) P-C4' energy: -160.787
flat angles C4'-P-C4' energy: -147.960
flat angles P-C4'-P energy: -95.273
tors. eta vs tors. theta energy: -147.812
Dist. restrs. and SS energy: 5.660 (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: 8
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -1926.265741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.265741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.359092 (E_RNA)
where:
Base-Base interactions energy: -1302.793
where: short stacking energy: -535.207
Base-Backbone interact. energy: -3.351
local terms energy: -623.215268
where:
bonds (distance) C4'-P energy: -119.416
bonds (distance) P-C4' energy: -137.129
flat angles C4'-P-C4' energy: -144.691
flat angles P-C4'-P energy: -80.249
tors. eta vs tors. theta energy: -141.730
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: 6
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -1927.940485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.940485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.457729 (E_RNA)
where:
Base-Base interactions energy: -1289.068
where: short stacking energy: -527.285
Base-Backbone interact. energy: 0.160
local terms energy: -640.549735
where:
bonds (distance) C4'-P energy: -112.593
bonds (distance) P-C4' energy: -133.073
flat angles C4'-P-C4' energy: -135.544
flat angles P-C4'-P energy: -98.168
tors. eta vs tors. theta energy: -161.172
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: 10, replica: 5
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -1902.137302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.137302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.606173 (E_RNA)
where:
Base-Base interactions energy: -1264.676
where: short stacking energy: -506.199
Base-Backbone interact. energy: -0.300
local terms energy: -645.629524
where:
bonds (distance) C4'-P energy: -125.677
bonds (distance) P-C4' energy: -145.962
flat angles C4'-P-C4' energy: -150.297
flat angles P-C4'-P energy: -84.060
tors. eta vs tors. theta energy: -139.634
Dist. restrs. and SS energy: 8.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -2878.932327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2878.932327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2881.570941 (E_RNA)
where:
Base-Base interactions energy: -1977.903
where: short stacking energy: -828.522
Base-Backbone interact. energy: -3.002
local terms energy: -900.666576
where:
bonds (distance) C4'-P energy: -166.879
bonds (distance) P-C4' energy: -162.569
flat angles C4'-P-C4' energy: -193.555
flat angles P-C4'-P energy: -129.828
tors. eta vs tors. theta energy: -247.836
Dist. restrs. and SS energy: 2.639 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -2709.169811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.169811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.180563 (E_RNA)
where:
Base-Base interactions energy: -1855.564
where: short stacking energy: -797.431
Base-Backbone interact. energy: -1.669
local terms energy: -853.946831
where:
bonds (distance) C4'-P energy: -143.717
bonds (distance) P-C4' energy: -162.400
flat angles C4'-P-C4' energy: -196.603
flat angles P-C4'-P energy: -116.762
tors. eta vs tors. theta energy: -234.465
Dist. restrs. and SS energy: 2.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -2601.568463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.568463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.855883 (E_RNA)
where:
Base-Base interactions energy: -1806.621
where: short stacking energy: -763.564
Base-Backbone interact. energy: 0.383
local terms energy: -796.617151
where:
bonds (distance) C4'-P energy: -147.171
bonds (distance) P-C4' energy: -132.496
flat angles C4'-P-C4' energy: -167.836
flat angles P-C4'-P energy: -125.477
tors. eta vs tors. theta energy: -223.637
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: 7
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -2547.315597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.315597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.882995 (E_RNA)
where:
Base-Base interactions energy: -1760.005
where: short stacking energy: -732.870
Base-Backbone interact. energy: -2.830
local terms energy: -787.047979
where:
bonds (distance) C4'-P energy: -165.226
bonds (distance) P-C4' energy: -146.948
flat angles C4'-P-C4' energy: -174.235
flat angles P-C4'-P energy: -102.382
tors. eta vs tors. theta energy: -198.257
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: 5, replica: 1
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -2407.958228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.958228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.670331 (E_RNA)
where:
Base-Base interactions energy: -1611.488
where: short stacking energy: -723.610
Base-Backbone interact. energy: -4.630
local terms energy: -794.553003
where:
bonds (distance) C4'-P energy: -143.053
bonds (distance) P-C4' energy: -144.701
flat angles C4'-P-C4' energy: -179.081
flat angles P-C4'-P energy: -114.693
tors. eta vs tors. theta energy: -213.024
Dist. restrs. and SS energy: 2.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -2221.218188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.218188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.291554 (E_RNA)
where:
Base-Base interactions energy: -1515.645
where: short stacking energy: -618.015
Base-Backbone interact. energy: -2.718
local terms energy: -704.928546
where:
bonds (distance) C4'-P energy: -147.065
bonds (distance) P-C4' energy: -132.815
flat angles C4'-P-C4' energy: -164.345
flat angles P-C4'-P energy: -100.502
tors. eta vs tors. theta energy: -160.201
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: 7, replica: 4
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -2133.717488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.717488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.492196 (E_RNA)
where:
Base-Base interactions energy: -1488.255
where: short stacking energy: -600.799
Base-Backbone interact. energy: -1.634
local terms energy: -646.602697
where:
bonds (distance) C4'-P energy: -148.913
bonds (distance) P-C4' energy: -139.979
flat angles C4'-P-C4' energy: -129.934
flat angles P-C4'-P energy: -72.073
tors. eta vs tors. theta energy: -155.703
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: 8, replica: 8
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -1958.308254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.308254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.446302 (E_RNA)
where:
Base-Base interactions energy: -1310.764
where: short stacking energy: -555.749
Base-Backbone interact. energy: -1.621
local terms energy: -648.061862
where:
bonds (distance) C4'-P energy: -128.433
bonds (distance) P-C4' energy: -131.322
flat angles C4'-P-C4' energy: -146.072
flat angles P-C4'-P energy: -97.673
tors. eta vs tors. theta energy: -144.560
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: 6
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -1906.738757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.738757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.438748 (E_RNA)
where:
Base-Base interactions energy: -1309.782
where: short stacking energy: -536.546
Base-Backbone interact. energy: -1.971
local terms energy: -596.685839
where:
bonds (distance) C4'-P energy: -106.669
bonds (distance) P-C4' energy: -129.439
flat angles C4'-P-C4' energy: -152.655
flat angles P-C4'-P energy: -78.303
tors. eta vs tors. theta energy: -129.620
Dist. restrs. and SS energy: 1.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -1861.558020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.558020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.141118 (E_RNA)
where:
Base-Base interactions energy: -1262.528
where: short stacking energy: -528.394
Base-Backbone interact. energy: 4.183
local terms energy: -610.795718
where:
bonds (distance) C4'-P energy: -111.815
bonds (distance) P-C4' energy: -132.307
flat angles C4'-P-C4' energy: -148.560
flat angles P-C4'-P energy: -92.179
tors. eta vs tors. theta energy: -125.935
Dist. restrs. and SS energy: 7.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -2859.751830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2859.751830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2862.067926 (E_RNA)
where:
Base-Base interactions energy: -1975.400
where: short stacking energy: -836.587
Base-Backbone interact. energy: -2.825
local terms energy: -883.842747
where:
bonds (distance) C4'-P energy: -168.079
bonds (distance) P-C4' energy: -162.986
flat angles C4'-P-C4' energy: -183.088
flat angles P-C4'-P energy: -125.507
tors. eta vs tors. theta energy: -244.182
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: 2, replica: 10
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -2711.721994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.721994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.231574 (E_RNA)
where:
Base-Base interactions energy: -1833.838
where: short stacking energy: -780.647
Base-Backbone interact. energy: -2.387
local terms energy: -877.006192
where:
bonds (distance) C4'-P energy: -162.514
bonds (distance) P-C4' energy: -181.133
flat angles C4'-P-C4' energy: -177.466
flat angles P-C4'-P energy: -129.331
tors. eta vs tors. theta energy: -226.564
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: 3, replica: 2
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -2618.157555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.157555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.583250 (E_RNA)
where:
Base-Base interactions energy: -1806.452
where: short stacking energy: -770.908
Base-Backbone interact. energy: -0.671
local terms energy: -814.460361
where:
bonds (distance) C4'-P energy: -137.261
bonds (distance) P-C4' energy: -160.532
flat angles C4'-P-C4' energy: -171.802
flat angles P-C4'-P energy: -128.531
tors. eta vs tors. theta energy: -216.335
Dist. restrs. and SS energy: 3.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -2506.626111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.626111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.139516 (E_RNA)
where:
Base-Base interactions energy: -1768.309
where: short stacking energy: -733.585
Base-Backbone interact. energy: -0.535
local terms energy: -739.295794
where:
bonds (distance) C4'-P energy: -140.527
bonds (distance) P-C4' energy: -130.942
flat angles C4'-P-C4' energy: -161.352
flat angles P-C4'-P energy: -107.246
tors. eta vs tors. theta energy: -199.230
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: 5, replica: 1
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -2372.729297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.729297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.294825 (E_RNA)
where:
Base-Base interactions energy: -1609.515
where: short stacking energy: -666.867
Base-Backbone interact. energy: -2.266
local terms energy: -763.514005
where:
bonds (distance) C4'-P energy: -147.893
bonds (distance) P-C4' energy: -127.683
flat angles C4'-P-C4' energy: -172.142
flat angles P-C4'-P energy: -126.416
tors. eta vs tors. theta energy: -189.380
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: 6, replica: 3
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -2285.863861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.863861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.638801 (E_RNA)
where:
Base-Base interactions energy: -1557.899
where: short stacking energy: -707.636
Base-Backbone interact. energy: -0.411
local terms energy: -729.329387
where:
bonds (distance) C4'-P energy: -139.446
bonds (distance) P-C4' energy: -132.812
flat angles C4'-P-C4' energy: -149.853
flat angles P-C4'-P energy: -91.483
tors. eta vs tors. theta energy: -215.735
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: 7, replica: 4
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -2182.117604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.117604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.850609 (E_RNA)
where:
Base-Base interactions energy: -1491.733
where: short stacking energy: -642.278
Base-Backbone interact. energy: -4.185
local terms energy: -688.932681
where:
bonds (distance) C4'-P energy: -151.705
bonds (distance) P-C4' energy: -123.553
flat angles C4'-P-C4' energy: -153.195
flat angles P-C4'-P energy: -81.553
tors. eta vs tors. theta energy: -178.927
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: 8, replica: 8
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -1968.831214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.831214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.987739 (E_RNA)
where:
Base-Base interactions energy: -1335.745
where: short stacking energy: -544.395
Base-Backbone interact. energy: -2.308
local terms energy: -633.934332
where:
bonds (distance) C4'-P energy: -126.675
bonds (distance) P-C4' energy: -143.761
flat angles C4'-P-C4' energy: -138.020
flat angles P-C4'-P energy: -94.318
tors. eta vs tors. theta energy: -131.160
Dist. restrs. and SS energy: 3.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -1930.566079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.566079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.017989 (E_RNA)
where:
Base-Base interactions energy: -1285.113
where: short stacking energy: -551.878
Base-Backbone interact. energy: 1.869
local terms energy: -649.773822
where:
bonds (distance) C4'-P energy: -142.697
bonds (distance) P-C4' energy: -126.298
flat angles C4'-P-C4' energy: -140.691
flat angles P-C4'-P energy: -84.643
tors. eta vs tors. theta energy: -155.444
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: 10, replica: 5
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -1893.721848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.721848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.217127 (E_RNA)
where:
Base-Base interactions energy: -1299.753
where: short stacking energy: -548.391
Base-Backbone interact. energy: -0.475
local terms energy: -596.989620
where:
bonds (distance) C4'-P energy: -120.275
bonds (distance) P-C4' energy: -151.358
flat angles C4'-P-C4' energy: -122.316
flat angles P-C4'-P energy: -77.937
tors. eta vs tors. theta energy: -125.103
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: 1, replica: 9
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -2846.609625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2846.609625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2848.713296 (E_RNA)
where:
Base-Base interactions energy: -1957.779
where: short stacking energy: -853.093
Base-Backbone interact. energy: -4.459
local terms energy: -886.475028
where:
bonds (distance) C4'-P energy: -155.615
bonds (distance) P-C4' energy: -162.907
flat angles C4'-P-C4' energy: -179.291
flat angles P-C4'-P energy: -136.234
tors. eta vs tors. theta energy: -252.427
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: 2, replica: 10
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -2708.843440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.843440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.087847 (E_RNA)
where:
Base-Base interactions energy: -1852.657
where: short stacking energy: -811.400
Base-Backbone interact. energy: -4.394
local terms energy: -853.036586
where:
bonds (distance) C4'-P energy: -147.268
bonds (distance) P-C4' energy: -151.885
flat angles C4'-P-C4' energy: -179.497
flat angles P-C4'-P energy: -140.007
tors. eta vs tors. theta energy: -234.380
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: 3, replica: 2
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -2631.483375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.483375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.766772 (E_RNA)
where:
Base-Base interactions energy: -1808.145
where: short stacking energy: -773.601
Base-Backbone interact. energy: -3.027
local terms energy: -822.595164
where:
bonds (distance) C4'-P energy: -142.558
bonds (distance) P-C4' energy: -157.456
flat angles C4'-P-C4' energy: -190.768
flat angles P-C4'-P energy: -114.319
tors. eta vs tors. theta energy: -217.495
Dist. restrs. and SS energy: 2.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -2527.347633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.347633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.496096 (E_RNA)
where:
Base-Base interactions energy: -1737.061
where: short stacking energy: -752.923
Base-Backbone interact. energy: 0.007
local terms energy: -792.441536
where:
bonds (distance) C4'-P energy: -150.185
bonds (distance) P-C4' energy: -148.640
flat angles C4'-P-C4' energy: -169.325
flat angles P-C4'-P energy: -115.032
tors. eta vs tors. theta energy: -209.259
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: 5, replica: 1
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -2403.621845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.621845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.663452 (E_RNA)
where:
Base-Base interactions energy: -1649.066
where: short stacking energy: -689.278
Base-Backbone interact. energy: 3.769
local terms energy: -760.365881
where:
bonds (distance) C4'-P energy: -135.265
bonds (distance) P-C4' energy: -151.430
flat angles C4'-P-C4' energy: -160.594
flat angles P-C4'-P energy: -102.434
tors. eta vs tors. theta energy: -210.642
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: 6, replica: 3
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -2171.442705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.442705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.137943 (E_RNA)
where:
Base-Base interactions energy: -1516.219
where: short stacking energy: -681.496
Base-Backbone interact. energy: -1.893
local terms energy: -655.026541
where:
bonds (distance) C4'-P energy: -116.559
bonds (distance) P-C4' energy: -137.046
flat angles C4'-P-C4' energy: -146.139
flat angles P-C4'-P energy: -81.603
tors. eta vs tors. theta energy: -173.680
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: 7, replica: 4
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -2151.342831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.342831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.411779 (E_RNA)
where:
Base-Base interactions energy: -1458.255
where: short stacking energy: -617.842
Base-Backbone interact. energy: 0.662
local terms energy: -697.818913
where:
bonds (distance) C4'-P energy: -134.847
bonds (distance) P-C4' energy: -130.163
flat angles C4'-P-C4' energy: -160.901
flat angles P-C4'-P energy: -98.723
tors. eta vs tors. theta energy: -173.185
Dist. restrs. and SS energy: 4.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -2016.679428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.679428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.132904 (E_RNA)
where:
Base-Base interactions energy: -1352.355
where: short stacking energy: -583.530
Base-Backbone interact. energy: 2.670
local terms energy: -669.448005
where:
bonds (distance) C4'-P energy: -126.147
bonds (distance) P-C4' energy: -138.594
flat angles C4'-P-C4' energy: -155.803
flat angles P-C4'-P energy: -81.345
tors. eta vs tors. theta energy: -167.559
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: 9, replica: 8
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -1915.561593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.561593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.944609 (E_RNA)
where:
Base-Base interactions energy: -1300.847
where: short stacking energy: -547.743
Base-Backbone interact. energy: 3.657
local terms energy: -620.754975
where:
bonds (distance) C4'-P energy: -120.155
bonds (distance) P-C4' energy: -133.051
flat angles C4'-P-C4' energy: -146.575
flat angles P-C4'-P energy: -85.288
tors. eta vs tors. theta energy: -135.687
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: 10, replica: 5
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -1845.109576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.109576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.292798 (E_RNA)
where:
Base-Base interactions energy: -1283.181
where: short stacking energy: -508.013
Base-Backbone interact. energy: 5.450
local terms energy: -569.561659
where:
bonds (distance) C4'-P energy: -118.371
bonds (distance) P-C4' energy: -136.378
flat angles C4'-P-C4' energy: -133.769
flat angles P-C4'-P energy: -68.891
tors. eta vs tors. theta energy: -112.153
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: 1, replica: 9
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -2862.086764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2862.086764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2863.858718 (E_RNA)
where:
Base-Base interactions energy: -1974.816
where: short stacking energy: -874.219
Base-Backbone interact. energy: -3.271
local terms energy: -885.771741
where:
bonds (distance) C4'-P energy: -159.878
bonds (distance) P-C4' energy: -161.782
flat angles C4'-P-C4' energy: -180.230
flat angles P-C4'-P energy: -130.214
tors. eta vs tors. theta energy: -253.667
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: 2, replica: 10
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -2766.597629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.597629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.317002 (E_RNA)
where:
Base-Base interactions energy: -1889.417
where: short stacking energy: -817.444
Base-Backbone interact. energy: -8.392
local terms energy: -871.507249
where:
bonds (distance) C4'-P energy: -161.617
bonds (distance) P-C4' energy: -166.275
flat angles C4'-P-C4' energy: -190.847
flat angles P-C4'-P energy: -115.631
tors. eta vs tors. theta energy: -237.137
Dist. restrs. and SS energy: 2.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -2633.599382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.599382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.483593 (E_RNA)
where:
Base-Base interactions energy: -1798.797
where: short stacking energy: -749.506
Base-Backbone interact. energy: -5.575
local terms energy: -831.111616
where:
bonds (distance) C4'-P energy: -155.914
bonds (distance) P-C4' energy: -138.485
flat angles C4'-P-C4' energy: -166.717
flat angles P-C4'-P energy: -131.349
tors. eta vs tors. theta energy: -238.646
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: 4, replica: 7
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -2593.514406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.514406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.810912 (E_RNA)
where:
Base-Base interactions energy: -1806.725
where: short stacking energy: -752.175
Base-Backbone interact. energy: -1.938
local terms energy: -786.147598
where:
bonds (distance) C4'-P energy: -147.154
bonds (distance) P-C4' energy: -142.557
flat angles C4'-P-C4' energy: -172.494
flat angles P-C4'-P energy: -98.178
tors. eta vs tors. theta energy: -225.766
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: 5, replica: 1
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -2361.218502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.218502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.241444 (E_RNA)
where:
Base-Base interactions energy: -1597.112
where: short stacking energy: -667.603
Base-Backbone interact. energy: 0.719
local terms energy: -767.848435
where:
bonds (distance) C4'-P energy: -142.923
bonds (distance) P-C4' energy: -153.815
flat angles C4'-P-C4' energy: -174.979
flat angles P-C4'-P energy: -109.470
tors. eta vs tors. theta energy: -186.662
Dist. restrs. and SS energy: 3.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -2156.405533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.405533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.544546 (E_RNA)
where:
Base-Base interactions energy: -1443.022
where: short stacking energy: -620.764
Base-Backbone interact. energy: -3.695
local terms energy: -711.827666
where:
bonds (distance) C4'-P energy: -135.275
bonds (distance) P-C4' energy: -137.595
flat angles C4'-P-C4' energy: -167.023
flat angles P-C4'-P energy: -107.706
tors. eta vs tors. theta energy: -164.229
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: 4
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -2149.331623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.331623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.241428 (E_RNA)
where:
Base-Base interactions energy: -1463.057
where: short stacking energy: -617.579
Base-Backbone interact. energy: 5.334
local terms energy: -693.518324
where:
bonds (distance) C4'-P energy: -133.453
bonds (distance) P-C4' energy: -134.794
flat angles C4'-P-C4' energy: -158.780
flat angles P-C4'-P energy: -103.179
tors. eta vs tors. theta energy: -163.312
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: 8, replica: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -2038.834757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.834757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.207342 (E_RNA)
where:
Base-Base interactions energy: -1371.223
where: short stacking energy: -595.870
Base-Backbone interact. energy: -0.212
local terms energy: -670.773230
where:
bonds (distance) C4'-P energy: -140.550
bonds (distance) P-C4' energy: -130.704
flat angles C4'-P-C4' energy: -156.154
flat angles P-C4'-P energy: -82.197
tors. eta vs tors. theta energy: -161.169
Dist. restrs. and SS energy: 3.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -1967.488470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.488470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.467126 (E_RNA)
where:
Base-Base interactions energy: -1339.188
where: short stacking energy: -566.051
Base-Backbone interact. energy: 2.116
local terms energy: -635.395572
where:
bonds (distance) C4'-P energy: -125.785
bonds (distance) P-C4' energy: -142.037
flat angles C4'-P-C4' energy: -135.589
flat angles P-C4'-P energy: -88.300
tors. eta vs tors. theta energy: -143.686
Dist. restrs. and SS energy: 4.979 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -1813.898852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.898852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.731079 (E_RNA)
where:
Base-Base interactions energy: -1246.448
where: short stacking energy: -519.222
Base-Backbone interact. energy: -1.727
local terms energy: -568.555166
where:
bonds (distance) C4'-P energy: -101.340
bonds (distance) P-C4' energy: -123.489
flat angles C4'-P-C4' energy: -133.769
flat angles P-C4'-P energy: -83.131
tors. eta vs tors. theta energy: -126.826
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: 1, replica: 9
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -2845.405004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2845.405004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2848.032145 (E_RNA)
where:
Base-Base interactions energy: -1931.106
where: short stacking energy: -824.782
Base-Backbone interact. energy: -3.622
local terms energy: -913.304174
where:
bonds (distance) C4'-P energy: -166.098
bonds (distance) P-C4' energy: -158.772
flat angles C4'-P-C4' energy: -201.040
flat angles P-C4'-P energy: -130.582
tors. eta vs tors. theta energy: -256.812
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: 2, replica: 10
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -2725.689556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.689556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.389570 (E_RNA)
where:
Base-Base interactions energy: -1892.132
where: short stacking energy: -815.726
Base-Backbone interact. energy: -2.410
local terms energy: -832.847186
where:
bonds (distance) C4'-P energy: -138.106
bonds (distance) P-C4' energy: -167.085
flat angles C4'-P-C4' energy: -178.639
flat angles P-C4'-P energy: -123.482
tors. eta vs tors. theta energy: -225.535
Dist. restrs. and SS energy: 1.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -2640.093461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.093461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.291794 (E_RNA)
where:
Base-Base interactions energy: -1805.494
where: short stacking energy: -782.515
Base-Backbone interact. energy: 2.957
local terms energy: -838.754302
where:
bonds (distance) C4'-P energy: -141.176
bonds (distance) P-C4' energy: -159.137
flat angles C4'-P-C4' energy: -185.369
flat angles P-C4'-P energy: -121.030
tors. eta vs tors. theta energy: -232.042
Dist. restrs. and SS energy: 1.198 (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: 7
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -2620.552160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.552160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.429665 (E_RNA)
where:
Base-Base interactions energy: -1800.770
where: short stacking energy: -767.434
Base-Backbone interact. energy: -2.153
local terms energy: -819.506311
where:
bonds (distance) C4'-P energy: -153.179
bonds (distance) P-C4' energy: -163.849
flat angles C4'-P-C4' energy: -177.070
flat angles P-C4'-P energy: -115.531
tors. eta vs tors. theta energy: -209.878
Dist. restrs. and SS energy: 1.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -2337.390650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.390650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.315075 (E_RNA)
where:
Base-Base interactions energy: -1619.449
where: short stacking energy: -672.587
Base-Backbone interact. energy: 1.790
local terms energy: -721.655883
where:
bonds (distance) C4'-P energy: -131.538
bonds (distance) P-C4' energy: -144.129
flat angles C4'-P-C4' energy: -160.992
flat angles P-C4'-P energy: -97.117
tors. eta vs tors. theta energy: -187.880
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: 6, replica: 4
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -2200.699509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.699509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.244655 (E_RNA)
where:
Base-Base interactions energy: -1525.144
where: short stacking energy: -637.846
Base-Backbone interact. energy: -1.830
local terms energy: -676.270769
where:
bonds (distance) C4'-P energy: -126.224
bonds (distance) P-C4' energy: -140.099
flat angles C4'-P-C4' energy: -142.892
flat angles P-C4'-P energy: -95.303
tors. eta vs tors. theta energy: -171.752
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: 3
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -2096.544598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.544598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.609310 (E_RNA)
where:
Base-Base interactions energy: -1411.009
where: short stacking energy: -619.763
Base-Backbone interact. energy: 3.050
local terms energy: -691.650283
where:
bonds (distance) C4'-P energy: -132.459
bonds (distance) P-C4' energy: -146.998
flat angles C4'-P-C4' energy: -153.699
flat angles P-C4'-P energy: -92.823
tors. eta vs tors. theta energy: -165.672
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: 8, replica: 6
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -2003.527171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.527171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.682128 (E_RNA)
where:
Base-Base interactions energy: -1359.132
where: short stacking energy: -587.329
Base-Backbone interact. energy: 10.586
local terms energy: -657.135945
where:
bonds (distance) C4'-P energy: -119.874
bonds (distance) P-C4' energy: -128.255
flat angles C4'-P-C4' energy: -145.795
flat angles P-C4'-P energy: -89.815
tors. eta vs tors. theta energy: -173.397
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: 9, replica: 8
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -1914.456255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.456255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.521026 (E_RNA)
where:
Base-Base interactions energy: -1273.610
where: short stacking energy: -548.660
Base-Backbone interact. energy: 5.469
local terms energy: -650.379931
where:
bonds (distance) C4'-P energy: -127.428
bonds (distance) P-C4' energy: -143.999
flat angles C4'-P-C4' energy: -143.375
flat angles P-C4'-P energy: -83.693
tors. eta vs tors. theta energy: -151.884
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: 5
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -1880.932364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.932364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.398595 (E_RNA)
where:
Base-Base interactions energy: -1237.932
where: short stacking energy: -525.508
Base-Backbone interact. energy: -2.296
local terms energy: -644.170182
where:
bonds (distance) C4'-P energy: -111.131
bonds (distance) P-C4' energy: -130.538
flat angles C4'-P-C4' energy: -153.412
flat angles P-C4'-P energy: -105.209
tors. eta vs tors. theta energy: -143.880
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: 1, replica: 9
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -2863.978399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2863.978399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2866.528506 (E_RNA)
where:
Base-Base interactions energy: -1944.912
where: short stacking energy: -855.496
Base-Backbone interact. energy: -0.403
local terms energy: -921.213821
where:
bonds (distance) C4'-P energy: -169.929
bonds (distance) P-C4' energy: -179.905
flat angles C4'-P-C4' energy: -185.716
flat angles P-C4'-P energy: -133.682
tors. eta vs tors. theta energy: -251.982
Dist. restrs. and SS energy: 2.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -2760.969967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2760.969967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.964128 (E_RNA)
where:
Base-Base interactions energy: -1890.355
where: short stacking energy: -814.460
Base-Backbone interact. energy: -4.445
local terms energy: -868.164057
where:
bonds (distance) C4'-P energy: -149.253
bonds (distance) P-C4' energy: -157.542
flat angles C4'-P-C4' energy: -193.772
flat angles P-C4'-P energy: -116.093
tors. eta vs tors. theta energy: -251.504
Dist. restrs. and SS energy: 1.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -2645.654916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.654916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.158011 (E_RNA)
where:
Base-Base interactions energy: -1811.025
where: short stacking energy: -784.556
Base-Backbone interact. energy: 3.016
local terms energy: -839.149477
where:
bonds (distance) C4'-P energy: -159.547
bonds (distance) P-C4' energy: -147.114
flat angles C4'-P-C4' energy: -182.780
flat angles P-C4'-P energy: -122.568
tors. eta vs tors. theta energy: -227.142
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: 7
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -2560.380076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.380076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.972827 (E_RNA)
where:
Base-Base interactions energy: -1768.767
where: short stacking energy: -747.710
Base-Backbone interact. energy: -3.157
local terms energy: -790.048491
where:
bonds (distance) C4'-P energy: -131.979
bonds (distance) P-C4' energy: -150.634
flat angles C4'-P-C4' energy: -181.296
flat angles P-C4'-P energy: -109.206
tors. eta vs tors. theta energy: -216.934
Dist. restrs. and SS energy: 1.593 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -2384.789190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.789190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.375122 (E_RNA)
where:
Base-Base interactions energy: -1628.328
where: short stacking energy: -697.220
Base-Backbone interact. energy: 1.517
local terms energy: -760.564133
where:
bonds (distance) C4'-P energy: -127.514
bonds (distance) P-C4' energy: -149.528
flat angles C4'-P-C4' energy: -167.121
flat angles P-C4'-P energy: -112.243
tors. eta vs tors. theta energy: -204.158
Dist. restrs. and SS energy: 2.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -2229.073637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.073637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.390405 (E_RNA)
where:
Base-Base interactions energy: -1512.968
where: short stacking energy: -633.360
Base-Backbone interact. energy: -1.061
local terms energy: -717.362328
where:
bonds (distance) C4'-P energy: -128.639
bonds (distance) P-C4' energy: -153.819
flat angles C4'-P-C4' energy: -160.682
flat angles P-C4'-P energy: -101.453
tors. eta vs tors. theta energy: -172.769
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: 240
Temperature: 1.200000
Total energy: -2122.421971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.421971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.772960 (E_RNA)
where:
Base-Base interactions energy: -1433.596
where: short stacking energy: -618.905
Base-Backbone interact. energy: -0.434
local terms energy: -690.742594
where:
bonds (distance) C4'-P energy: -132.399
bonds (distance) P-C4' energy: -150.210
flat angles C4'-P-C4' energy: -146.729
flat angles P-C4'-P energy: -90.127
tors. eta vs tors. theta energy: -171.279
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: 6
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -2014.370944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.370944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.447673 (E_RNA)
where:
Base-Base interactions energy: -1352.481
where: short stacking energy: -570.158
Base-Backbone interact. energy: 6.969
local terms energy: -671.935953
where:
bonds (distance) C4'-P energy: -123.438
bonds (distance) P-C4' energy: -134.821
flat angles C4'-P-C4' energy: -157.183
flat angles P-C4'-P energy: -109.992
tors. eta vs tors. theta energy: -146.502
Dist. restrs. and SS energy: 3.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -1935.247841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.247841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.644757 (E_RNA)
where:
Base-Base interactions energy: -1342.785
where: short stacking energy: -581.131
Base-Backbone interact. energy: -1.309
local terms energy: -593.550634
where:
bonds (distance) C4'-P energy: -92.514
bonds (distance) P-C4' energy: -125.558
flat angles C4'-P-C4' energy: -144.172
flat angles P-C4'-P energy: -86.192
tors. eta vs tors. theta energy: -145.114
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: 10, replica: 5
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -1854.588438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.588438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.371460 (E_RNA)
where:
Base-Base interactions energy: -1289.783
where: short stacking energy: -507.872
Base-Backbone interact. energy: 0.160
local terms energy: -566.748350
where:
bonds (distance) C4'-P energy: -95.932
bonds (distance) P-C4' energy: -133.987
flat angles C4'-P-C4' energy: -128.731
flat angles P-C4'-P energy: -84.411
tors. eta vs tors. theta energy: -123.687
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: 1, replica: 9
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -2881.294154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2881.294154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2883.575495 (E_RNA)
where:
Base-Base interactions energy: -1974.242
where: short stacking energy: -867.329
Base-Backbone interact. energy: -4.787
local terms energy: -904.547122
where:
bonds (distance) C4'-P energy: -159.074
bonds (distance) P-C4' energy: -157.447
flat angles C4'-P-C4' energy: -198.133
flat angles P-C4'-P energy: -121.378
tors. eta vs tors. theta energy: -268.515
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: 2, replica: 10
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -2713.130035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.130035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.302118 (E_RNA)
where:
Base-Base interactions energy: -1850.687
where: short stacking energy: -788.493
Base-Backbone interact. energy: -2.147
local terms energy: -862.467331
where:
bonds (distance) C4'-P energy: -149.894
bonds (distance) P-C4' energy: -152.110
flat angles C4'-P-C4' energy: -191.587
flat angles P-C4'-P energy: -134.894
tors. eta vs tors. theta energy: -233.983
Dist. restrs. and SS energy: 2.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -2618.398927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.398927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.275416 (E_RNA)
where:
Base-Base interactions energy: -1780.427
where: short stacking energy: -746.601
Base-Backbone interact. energy: -2.010
local terms energy: -837.838057
where:
bonds (distance) C4'-P energy: -168.084
bonds (distance) P-C4' energy: -156.041
flat angles C4'-P-C4' energy: -177.127
flat angles P-C4'-P energy: -117.919
tors. eta vs tors. theta energy: -218.668
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: 7
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -2573.776028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.776028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.104001 (E_RNA)
where:
Base-Base interactions energy: -1802.143
where: short stacking energy: -751.332
Base-Backbone interact. energy: 0.937
local terms energy: -775.897717
where:
bonds (distance) C4'-P energy: -135.735
bonds (distance) P-C4' energy: -150.215
flat angles C4'-P-C4' energy: -172.741
flat angles P-C4'-P energy: -106.291
tors. eta vs tors. theta energy: -210.915
Dist. restrs. and SS energy: 3.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -2382.650884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.650884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.859964 (E_RNA)
where:
Base-Base interactions energy: -1636.470
where: short stacking energy: -712.783
Base-Backbone interact. energy: 0.684
local terms energy: -750.073934
where:
bonds (distance) C4'-P energy: -139.192
bonds (distance) P-C4' energy: -142.374
flat angles C4'-P-C4' energy: -158.329
flat angles P-C4'-P energy: -115.864
tors. eta vs tors. theta energy: -194.315
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: 6, replica: 4
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -2297.993820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.993820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.039522 (E_RNA)
where:
Base-Base interactions energy: -1560.393
where: short stacking energy: -656.593
Base-Backbone interact. energy: -2.395
local terms energy: -738.251372
where:
bonds (distance) C4'-P energy: -140.503
bonds (distance) P-C4' energy: -154.484
flat angles C4'-P-C4' energy: -157.351
flat angles P-C4'-P energy: -92.349
tors. eta vs tors. theta energy: -193.564
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: 7, replica: 3
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -2134.489173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.489173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.232791 (E_RNA)
where:
Base-Base interactions energy: -1468.644
where: short stacking energy: -631.735
Base-Backbone interact. energy: -2.840
local terms energy: -665.749489
where:
bonds (distance) C4'-P energy: -122.151
bonds (distance) P-C4' energy: -140.118
flat angles C4'-P-C4' energy: -142.332
flat angles P-C4'-P energy: -75.424
tors. eta vs tors. theta energy: -185.725
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: 6
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -2009.818027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.818027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.014386 (E_RNA)
where:
Base-Base interactions energy: -1369.645
where: short stacking energy: -570.719
Base-Backbone interact. energy: 2.452
local terms energy: -644.821090
where:
bonds (distance) C4'-P energy: -136.228
bonds (distance) P-C4' energy: -97.162
flat angles C4'-P-C4' energy: -148.748
flat angles P-C4'-P energy: -101.282
tors. eta vs tors. theta energy: -161.402
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: 8
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -1981.698830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.698830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.376240 (E_RNA)
where:
Base-Base interactions energy: -1331.865
where: short stacking energy: -561.483
Base-Backbone interact. energy: -3.805
local terms energy: -648.706275
where:
bonds (distance) C4'-P energy: -134.846
bonds (distance) P-C4' energy: -147.027
flat angles C4'-P-C4' energy: -134.339
flat angles P-C4'-P energy: -86.302
tors. eta vs tors. theta energy: -146.192
Dist. restrs. and SS energy: 2.677 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -1859.122684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.122684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.633819 (E_RNA)
where:
Base-Base interactions energy: -1259.181
where: short stacking energy: -533.499
Base-Backbone interact. energy: -1.770
local terms energy: -603.682658
where:
bonds (distance) C4'-P energy: -123.974
bonds (distance) P-C4' energy: -116.994
flat angles C4'-P-C4' energy: -137.200
flat angles P-C4'-P energy: -96.788
tors. eta vs tors. theta energy: -128.727
Dist. restrs. and SS energy: 5.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -2871.534388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2871.534388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2873.892853 (E_RNA)
where:
Base-Base interactions energy: -1996.695
where: short stacking energy: -852.865
Base-Backbone interact. energy: 3.641
local terms energy: -880.839157
where:
bonds (distance) C4'-P energy: -160.254
bonds (distance) P-C4' energy: -149.670
flat angles C4'-P-C4' energy: -190.374
flat angles P-C4'-P energy: -124.407
tors. eta vs tors. theta energy: -256.134
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: 10
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -2757.542874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.542874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.796698 (E_RNA)
where:
Base-Base interactions energy: -1892.448
where: short stacking energy: -819.225
Base-Backbone interact. energy: -3.943
local terms energy: -862.405537
where:
bonds (distance) C4'-P energy: -141.118
bonds (distance) P-C4' energy: -171.774
flat angles C4'-P-C4' energy: -179.370
flat angles P-C4'-P energy: -135.907
tors. eta vs tors. theta energy: -234.237
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: 3, replica: 7
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -2621.402101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.402101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.212083 (E_RNA)
where:
Base-Base interactions energy: -1791.463
where: short stacking energy: -760.793
Base-Backbone interact. energy: -1.298
local terms energy: -830.451407
where:
bonds (distance) C4'-P energy: -151.733
bonds (distance) P-C4' energy: -155.387
flat angles C4'-P-C4' energy: -183.198
flat angles P-C4'-P energy: -119.055
tors. eta vs tors. theta energy: -221.078
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: 2
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -2572.676614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.676614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.847925 (E_RNA)
where:
Base-Base interactions energy: -1776.539
where: short stacking energy: -776.895
Base-Backbone interact. energy: -3.324
local terms energy: -794.984320
where:
bonds (distance) C4'-P energy: -133.776
bonds (distance) P-C4' energy: -140.586
flat angles C4'-P-C4' energy: -169.572
flat angles P-C4'-P energy: -106.956
tors. eta vs tors. theta energy: -244.095
Dist. restrs. and SS energy: 2.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -2372.448687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.448687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.900200 (E_RNA)
where:
Base-Base interactions energy: -1606.752
where: short stacking energy: -693.952
Base-Backbone interact. energy: -1.999
local terms energy: -766.149727
where:
bonds (distance) C4'-P energy: -156.762
bonds (distance) P-C4' energy: -139.571
flat angles C4'-P-C4' energy: -170.543
flat angles P-C4'-P energy: -95.973
tors. eta vs tors. theta energy: -203.301
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: 6, replica: 1
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -2319.717584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.717584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.927920 (E_RNA)
where:
Base-Base interactions energy: -1598.008
where: short stacking energy: -687.329
Base-Backbone interact. energy: 0.206
local terms energy: -724.125085
where:
bonds (distance) C4'-P energy: -117.318
bonds (distance) P-C4' energy: -148.748
flat angles C4'-P-C4' energy: -156.650
flat angles P-C4'-P energy: -107.446
tors. eta vs tors. theta energy: -193.964
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: 7, replica: 3
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -2131.344905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.344905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.914940 (E_RNA)
where:
Base-Base interactions energy: -1436.598
where: short stacking energy: -615.026
Base-Backbone interact. energy: -0.382
local terms energy: -696.935744
where:
bonds (distance) C4'-P energy: -142.186
bonds (distance) P-C4' energy: -136.035
flat angles C4'-P-C4' energy: -169.529
flat angles P-C4'-P energy: -82.892
tors. eta vs tors. theta energy: -166.294
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: 6
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -2059.365256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.365256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.326227 (E_RNA)
where:
Base-Base interactions energy: -1394.945
where: short stacking energy: -589.244
Base-Backbone interact. energy: 4.759
local terms energy: -671.140070
where:
bonds (distance) C4'-P energy: -124.910
bonds (distance) P-C4' energy: -134.975
flat angles C4'-P-C4' energy: -151.269
flat angles P-C4'-P energy: -97.058
tors. eta vs tors. theta energy: -162.928
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: 9, replica: 8
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -1970.376612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.376612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.828596 (E_RNA)
where:
Base-Base interactions energy: -1319.311
where: short stacking energy: -546.460
Base-Backbone interact. energy: 5.013
local terms energy: -659.530812
where:
bonds (distance) C4'-P energy: -118.286
bonds (distance) P-C4' energy: -165.159
flat angles C4'-P-C4' energy: -149.870
flat angles P-C4'-P energy: -87.222
tors. eta vs tors. theta energy: -138.994
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: 10, replica: 5
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -1838.374393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.374393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.492668 (E_RNA)
where:
Base-Base interactions energy: -1210.298
where: short stacking energy: -513.514
Base-Backbone interact. energy: -2.045
local terms energy: -630.149400
where:
bonds (distance) C4'-P energy: -139.703
bonds (distance) P-C4' energy: -134.893
flat angles C4'-P-C4' energy: -130.038
flat angles P-C4'-P energy: -90.452
tors. eta vs tors. theta energy: -135.063
Dist. restrs. and SS energy: 4.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -2871.100057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2871.100057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2873.637843 (E_RNA)
where:
Base-Base interactions energy: -2013.836
where: short stacking energy: -883.957
Base-Backbone interact. energy: 6.064
local terms energy: -865.865930
where:
bonds (distance) C4'-P energy: -152.915
bonds (distance) P-C4' energy: -151.931
flat angles C4'-P-C4' energy: -193.047
flat angles P-C4'-P energy: -120.810
tors. eta vs tors. theta energy: -247.163
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: 2, replica: 10
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -2750.432087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.432087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.203834 (E_RNA)
where:
Base-Base interactions energy: -1883.513
where: short stacking energy: -803.708
Base-Backbone interact. energy: -1.792
local terms energy: -866.898811
where:
bonds (distance) C4'-P energy: -156.518
bonds (distance) P-C4' energy: -164.784
flat angles C4'-P-C4' energy: -192.595
flat angles P-C4'-P energy: -117.715
tors. eta vs tors. theta energy: -235.287
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: 3, replica: 7
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -2657.988134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.988134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.598114 (E_RNA)
where:
Base-Base interactions energy: -1849.681
where: short stacking energy: -776.912
Base-Backbone interact. energy: -1.891
local terms energy: -808.025188
where:
bonds (distance) C4'-P energy: -148.741
bonds (distance) P-C4' energy: -146.680
flat angles C4'-P-C4' energy: -183.572
flat angles P-C4'-P energy: -111.539
tors. eta vs tors. theta energy: -217.494
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: 2
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -2540.917456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.917456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.171588 (E_RNA)
where:
Base-Base interactions energy: -1763.547
where: short stacking energy: -753.901
Base-Backbone interact. energy: 8.067
local terms energy: -786.691458
where:
bonds (distance) C4'-P energy: -134.545
bonds (distance) P-C4' energy: -156.150
flat angles C4'-P-C4' energy: -154.203
flat angles P-C4'-P energy: -121.606
tors. eta vs tors. theta energy: -220.188
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: 5, replica: 4
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -2367.099511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.099511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.868361 (E_RNA)
where:
Base-Base interactions energy: -1620.992
where: short stacking energy: -698.377
Base-Backbone interact. energy: -0.329
local terms energy: -747.546897
where:
bonds (distance) C4'-P energy: -135.420
bonds (distance) P-C4' energy: -133.032
flat angles C4'-P-C4' energy: -172.737
flat angles P-C4'-P energy: -106.273
tors. eta vs tors. theta energy: -200.084
Dist. restrs. and SS energy: 1.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -2284.118137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.118137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.851465 (E_RNA)
where:
Base-Base interactions energy: -1572.317
where: short stacking energy: -654.433
Base-Backbone interact. energy: -3.341
local terms energy: -711.193179
where:
bonds (distance) C4'-P energy: -137.240
bonds (distance) P-C4' energy: -128.989
flat angles C4'-P-C4' energy: -151.566
flat angles P-C4'-P energy: -114.335
tors. eta vs tors. theta energy: -179.063
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: 7, replica: 3
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -2090.994925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.994925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.976395 (E_RNA)
where:
Base-Base interactions energy: -1383.361
where: short stacking energy: -597.564
Base-Backbone interact. energy: -0.404
local terms energy: -709.211819
where:
bonds (distance) C4'-P energy: -127.370
bonds (distance) P-C4' energy: -165.263
flat angles C4'-P-C4' energy: -155.900
flat angles P-C4'-P energy: -104.836
tors. eta vs tors. theta energy: -155.842
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: 8, replica: 6
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -2032.862817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.862817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.838401 (E_RNA)
where:
Base-Base interactions energy: -1344.315
where: short stacking energy: -559.986
Base-Backbone interact. energy: 2.797
local terms energy: -696.320171
where:
bonds (distance) C4'-P energy: -146.190
bonds (distance) P-C4' energy: -152.364
flat angles C4'-P-C4' energy: -151.250
flat angles P-C4'-P energy: -92.168
tors. eta vs tors. theta energy: -154.349
Dist. restrs. and SS energy: 4.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -1913.411733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.411733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.483161 (E_RNA)
where:
Base-Base interactions energy: -1318.932
where: short stacking energy: -562.844
Base-Backbone interact. energy: -1.439
local terms energy: -599.112634
where:
bonds (distance) C4'-P energy: -120.608
bonds (distance) P-C4' energy: -136.366
flat angles C4'-P-C4' energy: -121.940
flat angles P-C4'-P energy: -88.051
tors. eta vs tors. theta energy: -132.147
Dist. restrs. and SS energy: 6.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -1859.509866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.509866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.690692 (E_RNA)
where:
Base-Base interactions energy: -1273.238
where: short stacking energy: -524.999
Base-Backbone interact. energy: 5.648
local terms energy: -596.100640
where:
bonds (distance) C4'-P energy: -134.832
bonds (distance) P-C4' energy: -129.524
flat angles C4'-P-C4' energy: -127.894
flat angles P-C4'-P energy: -92.042
tors. eta vs tors. theta energy: -111.809
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: 244
Temperature: 0.900000
Total energy: -2864.227958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2864.227958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2866.223506 (E_RNA)
where:
Base-Base interactions energy: -1990.321
where: short stacking energy: -872.333
Base-Backbone interact. energy: 6.284
local terms energy: -882.186514
where:
bonds (distance) C4'-P energy: -165.093
bonds (distance) P-C4' energy: -159.968
flat angles C4'-P-C4' energy: -186.343
flat angles P-C4'-P energy: -122.008
tors. eta vs tors. theta energy: -248.774
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: 2, replica: 10
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -2691.184233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.184233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.811039 (E_RNA)
where:
Base-Base interactions energy: -1839.926
where: short stacking energy: -810.337
Base-Backbone interact. energy: -2.866
local terms energy: -850.018914
where:
bonds (distance) C4'-P energy: -148.989
bonds (distance) P-C4' energy: -160.452
flat angles C4'-P-C4' energy: -197.103
flat angles P-C4'-P energy: -116.446
tors. eta vs tors. theta energy: -227.027
Dist. restrs. and SS energy: 1.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -2628.904121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.904121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.157660 (E_RNA)
where:
Base-Base interactions energy: -1810.846
where: short stacking energy: -769.332
Base-Backbone interact. energy: -1.014
local terms energy: -818.297403
where:
bonds (distance) C4'-P energy: -140.843
bonds (distance) P-C4' energy: -151.991
flat angles C4'-P-C4' energy: -176.709
flat angles P-C4'-P energy: -118.448
tors. eta vs tors. theta energy: -230.306
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: 4, replica: 7
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -2571.120435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.120435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.026848 (E_RNA)
where:
Base-Base interactions energy: -1773.612
where: short stacking energy: -728.059
Base-Backbone interact. energy: -2.906
local terms energy: -796.508544
where:
bonds (distance) C4'-P energy: -137.340
bonds (distance) P-C4' energy: -147.851
flat angles C4'-P-C4' energy: -173.544
flat angles P-C4'-P energy: -120.132
tors. eta vs tors. theta energy: -217.641
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: 4
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -2446.420634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.420634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.398170 (E_RNA)
where:
Base-Base interactions energy: -1674.221
where: short stacking energy: -738.765
Base-Backbone interact. energy: -1.251
local terms energy: -772.926246
where:
bonds (distance) C4'-P energy: -127.033
bonds (distance) P-C4' energy: -151.125
flat angles C4'-P-C4' energy: -180.459
flat angles P-C4'-P energy: -108.797
tors. eta vs tors. theta energy: -205.513
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: 6, replica: 1
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -2339.369491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.369491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.696982 (E_RNA)
where:
Base-Base interactions energy: -1581.298
where: short stacking energy: -660.236
Base-Backbone interact. energy: -1.475
local terms energy: -758.923059
where:
bonds (distance) C4'-P energy: -148.310
bonds (distance) P-C4' energy: -135.379
flat angles C4'-P-C4' energy: -175.871
flat angles P-C4'-P energy: -106.297
tors. eta vs tors. theta energy: -193.066
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: 6
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -2088.842063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.842063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.831699 (E_RNA)
where:
Base-Base interactions energy: -1416.679
where: short stacking energy: -602.464
Base-Backbone interact. energy: -2.765
local terms energy: -671.388349
where:
bonds (distance) C4'-P energy: -126.387
bonds (distance) P-C4' energy: -140.706
flat angles C4'-P-C4' energy: -151.360
flat angles P-C4'-P energy: -94.938
tors. eta vs tors. theta energy: -157.998
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: 3
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -2026.199429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.199429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.213932 (E_RNA)
where:
Base-Base interactions energy: -1384.260
where: short stacking energy: -596.832
Base-Backbone interact. energy: 3.873
local terms energy: -649.826807
where:
bonds (distance) C4'-P energy: -132.209
bonds (distance) P-C4' energy: -138.343
flat angles C4'-P-C4' energy: -134.765
flat angles P-C4'-P energy: -85.824
tors. eta vs tors. theta energy: -158.685
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: 9, replica: 8
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -1921.851283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.851283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.808056 (E_RNA)
where:
Base-Base interactions energy: -1306.655
where: short stacking energy: -557.573
Base-Backbone interact. energy: 1.255
local terms energy: -623.407779
where:
bonds (distance) C4'-P energy: -124.296
bonds (distance) P-C4' energy: -127.373
flat angles C4'-P-C4' energy: -138.427
flat angles P-C4'-P energy: -76.061
tors. eta vs tors. theta energy: -157.251
Dist. restrs. and SS energy: 6.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -1833.729722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.729722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.253448 (E_RNA)
where:
Base-Base interactions energy: -1290.423
where: short stacking energy: -526.642
Base-Backbone interact. energy: -1.833
local terms energy: -543.997751
where:
bonds (distance) C4'-P energy: -113.549
bonds (distance) P-C4' energy: -122.862
flat angles C4'-P-C4' energy: -117.785
flat angles P-C4'-P energy: -62.107
tors. eta vs tors. theta energy: -127.695
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: 1, replica: 9
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -2847.797755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2847.797755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2849.839731 (E_RNA)
where:
Base-Base interactions energy: -1981.098
where: short stacking energy: -863.289
Base-Backbone interact. energy: 7.402
local terms energy: -876.144043
where:
bonds (distance) C4'-P energy: -144.046
bonds (distance) P-C4' energy: -176.187
flat angles C4'-P-C4' energy: -186.511
flat angles P-C4'-P energy: -120.741
tors. eta vs tors. theta energy: -248.658
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: 10
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -2703.184411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.184411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.737841 (E_RNA)
where:
Base-Base interactions energy: -1877.447
where: short stacking energy: -799.736
Base-Backbone interact. energy: -2.901
local terms energy: -824.389304
where:
bonds (distance) C4'-P energy: -159.585
bonds (distance) P-C4' energy: -141.878
flat angles C4'-P-C4' energy: -187.245
flat angles P-C4'-P energy: -112.006
tors. eta vs tors. theta energy: -223.675
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: 3, replica: 2
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -2618.418597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.418597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.405311 (E_RNA)
where:
Base-Base interactions energy: -1796.107
where: short stacking energy: -772.000
Base-Backbone interact. energy: -0.418
local terms energy: -823.880387
where:
bonds (distance) C4'-P energy: -145.205
bonds (distance) P-C4' energy: -158.920
flat angles C4'-P-C4' energy: -178.020
flat angles P-C4'-P energy: -112.586
tors. eta vs tors. theta energy: -229.149
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: 245
Temperature: 1.050000
Total energy: -2597.628337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.628337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.542869 (E_RNA)
where:
Base-Base interactions energy: -1798.735
where: short stacking energy: -773.343
Base-Backbone interact. energy: -0.089
local terms energy: -801.718104
where:
bonds (distance) C4'-P energy: -143.699
bonds (distance) P-C4' energy: -156.027
flat angles C4'-P-C4' energy: -169.305
flat angles P-C4'-P energy: -115.965
tors. eta vs tors. theta energy: -216.723
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: 5, replica: 4
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -2393.663908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.663908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.033949 (E_RNA)
where:
Base-Base interactions energy: -1618.211
where: short stacking energy: -683.254
Base-Backbone interact. energy: -3.132
local terms energy: -773.690985
where:
bonds (distance) C4'-P energy: -156.589
bonds (distance) P-C4' energy: -156.143
flat angles C4'-P-C4' energy: -148.689
flat angles P-C4'-P energy: -105.873
tors. eta vs tors. theta energy: -206.397
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: 6, replica: 1
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -2339.231736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.231736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.281999 (E_RNA)
where:
Base-Base interactions energy: -1582.035
where: short stacking energy: -670.283
Base-Backbone interact. energy: -2.659
local terms energy: -756.587807
where:
bonds (distance) C4'-P energy: -138.045
bonds (distance) P-C4' energy: -156.560
flat angles C4'-P-C4' energy: -178.526
flat angles P-C4'-P energy: -88.383
tors. eta vs tors. theta energy: -195.072
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: 7, replica: 6
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -2112.328951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.328951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.938297 (E_RNA)
where:
Base-Base interactions energy: -1402.389
where: short stacking energy: -610.416
Base-Backbone interact. energy: -1.930
local terms energy: -710.618550
where:
bonds (distance) C4'-P energy: -146.741
bonds (distance) P-C4' energy: -133.140
flat angles C4'-P-C4' energy: -161.367
flat angles P-C4'-P energy: -109.796
tors. eta vs tors. theta energy: -159.575
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: 8, replica: 3
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -2050.275738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.275738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.827229 (E_RNA)
where:
Base-Base interactions energy: -1399.545
where: short stacking energy: -583.764
Base-Backbone interact. energy: 2.992
local terms energy: -656.274567
where:
bonds (distance) C4'-P energy: -120.390
bonds (distance) P-C4' energy: -144.137
flat angles C4'-P-C4' energy: -145.970
flat angles P-C4'-P energy: -95.024
tors. eta vs tors. theta energy: -150.753
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: 9, replica: 8
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -1944.395394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.395394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.013815 (E_RNA)
where:
Base-Base interactions energy: -1316.064
where: short stacking energy: -550.919
Base-Backbone interact. energy: 0.147
local terms energy: -631.096751
where:
bonds (distance) C4'-P energy: -117.960
bonds (distance) P-C4' energy: -138.208
flat angles C4'-P-C4' energy: -130.383
flat angles P-C4'-P energy: -96.624
tors. eta vs tors. theta energy: -147.921
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: 10, replica: 5
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -1813.373613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.373613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.593994 (E_RNA)
where:
Base-Base interactions energy: -1231.348
where: short stacking energy: -527.662
Base-Backbone interact. energy: 3.905
local terms energy: -589.151285
where:
bonds (distance) C4'-P energy: -103.510
bonds (distance) P-C4' energy: -143.871
flat angles C4'-P-C4' energy: -129.549
flat angles P-C4'-P energy: -72.349
tors. eta vs tors. theta energy: -139.873
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: 1, replica: 9
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -2854.685323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2854.685323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2857.133654 (E_RNA)
where:
Base-Base interactions energy: -1946.147
where: short stacking energy: -840.184
Base-Backbone interact. energy: 3.632
local terms energy: -914.619310
where:
bonds (distance) C4'-P energy: -161.448
bonds (distance) P-C4' energy: -167.510
flat angles C4'-P-C4' energy: -194.983
flat angles P-C4'-P energy: -130.726
tors. eta vs tors. theta energy: -259.951
Dist. restrs. and SS energy: 2.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -2731.023411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.023411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.103084 (E_RNA)
where:
Base-Base interactions energy: -1860.579
where: short stacking energy: -804.006
Base-Backbone interact. energy: -0.620
local terms energy: -872.903488
where:
bonds (distance) C4'-P energy: -165.221
bonds (distance) P-C4' energy: -156.179
flat angles C4'-P-C4' energy: -182.637
flat angles P-C4'-P energy: -127.111
tors. eta vs tors. theta energy: -241.755
Dist. restrs. and SS energy: 3.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -2635.102802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.102802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.173178 (E_RNA)
where:
Base-Base interactions energy: -1811.691
where: short stacking energy: -775.989
Base-Backbone interact. energy: 1.258
local terms energy: -826.740710
where:
bonds (distance) C4'-P energy: -154.249
bonds (distance) P-C4' energy: -143.550
flat angles C4'-P-C4' energy: -176.077
flat angles P-C4'-P energy: -124.423
tors. eta vs tors. theta energy: -228.442
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: 4, replica: 2
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -2514.022390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.022390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.152313 (E_RNA)
where:
Base-Base interactions energy: -1733.804
where: short stacking energy: -736.388
Base-Backbone interact. energy: -2.447
local terms energy: -779.901272
where:
bonds (distance) C4'-P energy: -139.976
bonds (distance) P-C4' energy: -152.540
flat angles C4'-P-C4' energy: -168.446
flat angles P-C4'-P energy: -111.826
tors. eta vs tors. theta energy: -207.114
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: 5, replica: 4
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -2372.487240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.487240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.193765 (E_RNA)
where:
Base-Base interactions energy: -1632.118
where: short stacking energy: -700.626
Base-Backbone interact. energy: 0.962
local terms energy: -743.037408
where:
bonds (distance) C4'-P energy: -143.092
bonds (distance) P-C4' energy: -148.012
flat angles C4'-P-C4' energy: -151.268
flat angles P-C4'-P energy: -109.903
tors. eta vs tors. theta energy: -190.763
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: 246
Temperature: 1.150000
Total energy: -2327.873452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.873452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.116782 (E_RNA)
where:
Base-Base interactions energy: -1617.481
where: short stacking energy: -657.921
Base-Backbone interact. energy: -0.769
local terms energy: -711.866533
where:
bonds (distance) C4'-P energy: -135.445
bonds (distance) P-C4' energy: -134.030
flat angles C4'-P-C4' energy: -153.020
flat angles P-C4'-P energy: -105.550
tors. eta vs tors. theta energy: -183.821
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: 7, replica: 6
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -2081.534626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.534626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.674446 (E_RNA)
where:
Base-Base interactions energy: -1434.230
where: short stacking energy: -620.986
Base-Backbone interact. energy: 14.705
local terms energy: -664.150094
where:
bonds (distance) C4'-P energy: -120.068
bonds (distance) P-C4' energy: -135.575
flat angles C4'-P-C4' energy: -162.712
flat angles P-C4'-P energy: -88.512
tors. eta vs tors. theta energy: -157.283
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: 8, replica: 3
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -2068.966477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.966477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.591658 (E_RNA)
where:
Base-Base interactions energy: -1415.363
where: short stacking energy: -594.115
Base-Backbone interact. energy: 6.454
local terms energy: -662.682721
where:
bonds (distance) C4'-P energy: -115.135
bonds (distance) P-C4' energy: -145.123
flat angles C4'-P-C4' energy: -151.439
flat angles P-C4'-P energy: -100.385
tors. eta vs tors. theta energy: -150.601
Dist. restrs. and SS energy: 2.625 (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: 8
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -1996.528951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.528951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.632642 (E_RNA)
where:
Base-Base interactions energy: -1336.813
where: short stacking energy: -566.520
Base-Backbone interact. energy: -1.462
local terms energy: -660.356873
where:
bonds (distance) C4'-P energy: -127.443
bonds (distance) P-C4' energy: -135.789
flat angles C4'-P-C4' energy: -158.879
flat angles P-C4'-P energy: -85.479
tors. eta vs tors. theta energy: -152.767
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: 10, replica: 5
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -1866.962435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.962435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.016633 (E_RNA)
where:
Base-Base interactions energy: -1272.440
where: short stacking energy: -513.427
Base-Backbone interact. energy: -1.362
local terms energy: -595.214424
where:
bonds (distance) C4'-P energy: -125.340
bonds (distance) P-C4' energy: -110.837
flat angles C4'-P-C4' energy: -141.395
flat angles P-C4'-P energy: -92.366
tors. eta vs tors. theta energy: -125.276
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: 1, replica: 9
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -2825.108680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.108680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.820633 (E_RNA)
where:
Base-Base interactions energy: -1943.752
where: short stacking energy: -863.456
Base-Backbone interact. energy: -0.433
local terms energy: -882.635020
where:
bonds (distance) C4'-P energy: -158.173
bonds (distance) P-C4' energy: -168.562
flat angles C4'-P-C4' energy: -191.315
flat angles P-C4'-P energy: -112.851
tors. eta vs tors. theta energy: -251.734
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: 2, replica: 10
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -2737.480630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.480630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.124560 (E_RNA)
where:
Base-Base interactions energy: -1896.083
where: short stacking energy: -809.095
Base-Backbone interact. energy: -2.671
local terms energy: -841.370754
where:
bonds (distance) C4'-P energy: -159.982
bonds (distance) P-C4' energy: -167.997
flat angles C4'-P-C4' energy: -178.203
flat angles P-C4'-P energy: -110.756
tors. eta vs tors. theta energy: -224.434
Dist. restrs. and SS energy: 2.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -2665.013162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.013162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.219773 (E_RNA)
where:
Base-Base interactions energy: -1825.904
where: short stacking energy: -774.674
Base-Backbone interact. energy: 0.797
local terms energy: -842.113309
where:
bonds (distance) C4'-P energy: -156.788
bonds (distance) P-C4' energy: -161.221
flat angles C4'-P-C4' energy: -179.450
flat angles P-C4'-P energy: -115.958
tors. eta vs tors. theta energy: -228.696
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: 4, replica: 2
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -2520.331260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.331260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.125300 (E_RNA)
where:
Base-Base interactions energy: -1714.178
where: short stacking energy: -724.957
Base-Backbone interact. energy: 0.718
local terms energy: -808.665628
where:
bonds (distance) C4'-P energy: -155.951
bonds (distance) P-C4' energy: -158.157
flat angles C4'-P-C4' energy: -185.226
flat angles P-C4'-P energy: -111.110
tors. eta vs tors. theta energy: -198.221
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: 5, replica: 4
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -2376.279570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.279570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.382000 (E_RNA)
where:
Base-Base interactions energy: -1622.691
where: short stacking energy: -701.197
Base-Backbone interact. energy: -2.639
local terms energy: -753.051829
where:
bonds (distance) C4'-P energy: -123.246
bonds (distance) P-C4' energy: -137.491
flat angles C4'-P-C4' energy: -166.622
flat angles P-C4'-P energy: -119.782
tors. eta vs tors. theta energy: -205.910
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: 1
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -2255.580746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.580746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.766016 (E_RNA)
where:
Base-Base interactions energy: -1571.695
where: short stacking energy: -676.725
Base-Backbone interact. energy: 6.310
local terms energy: -692.380770
where:
bonds (distance) C4'-P energy: -139.558
bonds (distance) P-C4' energy: -130.180
flat angles C4'-P-C4' energy: -155.667
flat angles P-C4'-P energy: -89.554
tors. eta vs tors. theta energy: -177.422
Dist. restrs. and SS energy: 2.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -2093.053066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.053066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.194653 (E_RNA)
where:
Base-Base interactions energy: -1440.978
where: short stacking energy: -618.512
Base-Backbone interact. energy: 3.365
local terms energy: -656.582281
where:
bonds (distance) C4'-P energy: -126.035
bonds (distance) P-C4' energy: -122.084
flat angles C4'-P-C4' energy: -152.979
flat angles P-C4'-P energy: -90.266
tors. eta vs tors. theta energy: -165.217
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: 8, replica: 3
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -2025.800466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.800466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.603793 (E_RNA)
where:
Base-Base interactions energy: -1383.617
where: short stacking energy: -586.313
Base-Backbone interact. energy: 2.149
local terms energy: -647.135849
where:
bonds (distance) C4'-P energy: -137.011
bonds (distance) P-C4' energy: -128.190
flat angles C4'-P-C4' energy: -127.101
flat angles P-C4'-P energy: -89.356
tors. eta vs tors. theta energy: -165.477
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: 9, replica: 8
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -1943.030265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.030265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.400354 (E_RNA)
where:
Base-Base interactions energy: -1336.047
where: short stacking energy: -575.557
Base-Backbone interact. energy: 1.898
local terms energy: -612.251607
where:
bonds (distance) C4'-P energy: -141.103
bonds (distance) P-C4' energy: -107.836
flat angles C4'-P-C4' energy: -140.153
flat angles P-C4'-P energy: -76.533
tors. eta vs tors. theta energy: -146.627
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: 10, replica: 5
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -1888.607789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.607789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.363714 (E_RNA)
where:
Base-Base interactions energy: -1286.149
where: short stacking energy: -532.484
Base-Backbone interact. energy: -0.167
local terms energy: -606.047810
where:
bonds (distance) C4'-P energy: -127.651
bonds (distance) P-C4' energy: -123.459
flat angles C4'-P-C4' energy: -133.715
flat angles P-C4'-P energy: -79.873
tors. eta vs tors. theta energy: -141.350
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: 248
Temperature: 0.900000
Total energy: -2835.643430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2835.643430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2837.504674 (E_RNA)
where:
Base-Base interactions energy: -1940.727
where: short stacking energy: -859.163
Base-Backbone interact. energy: -2.948
local terms energy: -893.830120
where:
bonds (distance) C4'-P energy: -167.103
bonds (distance) P-C4' energy: -158.215
flat angles C4'-P-C4' energy: -179.451
flat angles P-C4'-P energy: -137.743
tors. eta vs tors. theta energy: -251.318
Dist. restrs. and SS energy: 1.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -2686.623651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.623651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.078492 (E_RNA)
where:
Base-Base interactions energy: -1800.116
where: short stacking energy: -765.857
Base-Backbone interact. energy: -0.933
local terms energy: -887.029659
where:
bonds (distance) C4'-P energy: -167.212
bonds (distance) P-C4' energy: -169.900
flat angles C4'-P-C4' energy: -180.678
flat angles P-C4'-P energy: -120.309
tors. eta vs tors. theta energy: -248.931
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: 248
Temperature: 1.000000
Total energy: -2665.771532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.771532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.977558 (E_RNA)
where:
Base-Base interactions energy: -1854.134
where: short stacking energy: -776.485
Base-Backbone interact. energy: -1.100
local terms energy: -811.743030
where:
bonds (distance) C4'-P energy: -124.984
bonds (distance) P-C4' energy: -148.292
flat angles C4'-P-C4' energy: -185.899
flat angles P-C4'-P energy: -131.281
tors. eta vs tors. theta energy: -221.286
Dist. restrs. and SS energy: 1.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -2550.869311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.869311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.630780 (E_RNA)
where:
Base-Base interactions energy: -1746.752
where: short stacking energy: -734.185
Base-Backbone interact. energy: -1.252
local terms energy: -804.627343
where:
bonds (distance) C4'-P energy: -137.139
bonds (distance) P-C4' energy: -159.508
flat angles C4'-P-C4' energy: -174.595
flat angles P-C4'-P energy: -108.871
tors. eta vs tors. theta energy: -224.514
Dist. restrs. and SS energy: 1.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -2369.347584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.347584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.222439 (E_RNA)
where:
Base-Base interactions energy: -1609.648
where: short stacking energy: -722.862
Base-Backbone interact. energy: -1.024
local terms energy: -761.549714
where:
bonds (distance) C4'-P energy: -135.946
bonds (distance) P-C4' energy: -135.106
flat angles C4'-P-C4' energy: -163.788
flat angles P-C4'-P energy: -125.418
tors. eta vs tors. theta energy: -201.292
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: 6, replica: 1
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -2215.939615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.939615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.847724 (E_RNA)
where:
Base-Base interactions energy: -1536.859
where: short stacking energy: -621.872
Base-Backbone interact. energy: 6.377
local terms energy: -689.365809
where:
bonds (distance) C4'-P energy: -129.065
bonds (distance) P-C4' energy: -144.514
flat angles C4'-P-C4' energy: -151.710
flat angles P-C4'-P energy: -96.678
tors. eta vs tors. theta energy: -167.398
Dist. restrs. and SS energy: 3.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -2100.266501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.266501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.143821 (E_RNA)
where:
Base-Base interactions energy: -1435.957
where: short stacking energy: -607.272
Base-Backbone interact. energy: 4.466
local terms energy: -670.652627
where:
bonds (distance) C4'-P energy: -121.623
bonds (distance) P-C4' energy: -146.771
flat angles C4'-P-C4' energy: -148.391
flat angles P-C4'-P energy: -90.692
tors. eta vs tors. theta energy: -163.176
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: 3
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -2005.994734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.994734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.219605 (E_RNA)
where:
Base-Base interactions energy: -1387.428
where: short stacking energy: -582.229
Base-Backbone interact. energy: 5.765
local terms energy: -628.556218
where:
bonds (distance) C4'-P energy: -122.243
bonds (distance) P-C4' energy: -140.606
flat angles C4'-P-C4' energy: -146.279
flat angles P-C4'-P energy: -73.138
tors. eta vs tors. theta energy: -146.290
Dist. restrs. and SS energy: 4.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -1979.180880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.180880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.899218 (E_RNA)
where:
Base-Base interactions energy: -1345.506
where: short stacking energy: -583.150
Base-Backbone interact. energy: -0.407
local terms energy: -634.986662
where:
bonds (distance) C4'-P energy: -110.648
bonds (distance) P-C4' energy: -122.547
flat angles C4'-P-C4' energy: -154.068
flat angles P-C4'-P energy: -96.830
tors. eta vs tors. theta energy: -150.894
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: 5
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -1892.125129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.125129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.427260 (E_RNA)
where:
Base-Base interactions energy: -1313.824
where: short stacking energy: -554.849
Base-Backbone interact. energy: -5.115
local terms energy: -575.488626
where:
bonds (distance) C4'-P energy: -115.650
bonds (distance) P-C4' energy: -117.014
flat angles C4'-P-C4' energy: -132.037
flat angles P-C4'-P energy: -83.060
tors. eta vs tors. theta energy: -127.728
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: 1, replica: 9
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -2871.300383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2871.300383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2872.359061 (E_RNA)
where:
Base-Base interactions energy: -1976.302
where: short stacking energy: -861.185
Base-Backbone interact. energy: 2.212
local terms energy: -898.268637
where:
bonds (distance) C4'-P energy: -160.636
bonds (distance) P-C4' energy: -158.400
flat angles C4'-P-C4' energy: -197.393
flat angles P-C4'-P energy: -124.546
tors. eta vs tors. theta energy: -257.293
Dist. restrs. and SS energy: 1.059 (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: 10
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -2719.303780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.303780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.694441 (E_RNA)
where:
Base-Base interactions energy: -1882.713
where: short stacking energy: -833.067
Base-Backbone interact. energy: 0.752
local terms energy: -840.732988
where:
bonds (distance) C4'-P energy: -141.927
bonds (distance) P-C4' energy: -145.503
flat angles C4'-P-C4' energy: -187.041
flat angles P-C4'-P energy: -121.042
tors. eta vs tors. theta energy: -245.219
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: 3, replica: 7
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -2651.053247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.053247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.323764 (E_RNA)
where:
Base-Base interactions energy: -1833.967
where: short stacking energy: -758.778
Base-Backbone interact. energy: 0.216
local terms energy: -818.573247
where:
bonds (distance) C4'-P energy: -159.791
bonds (distance) P-C4' energy: -147.174
flat angles C4'-P-C4' energy: -188.037
flat angles P-C4'-P energy: -111.320
tors. eta vs tors. theta energy: -212.250
Dist. restrs. and SS energy: 1.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -2461.234271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.234271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.344378 (E_RNA)
where:
Base-Base interactions energy: -1683.116
where: short stacking energy: -717.436
Base-Backbone interact. energy: -2.001
local terms energy: -778.226646
where:
bonds (distance) C4'-P energy: -164.839
bonds (distance) P-C4' energy: -136.299
flat angles C4'-P-C4' energy: -166.827
flat angles P-C4'-P energy: -108.551
tors. eta vs tors. theta energy: -201.711
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: 5, replica: 4
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -2331.369926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.369926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.995070 (E_RNA)
where:
Base-Base interactions energy: -1580.988
where: short stacking energy: -671.898
Base-Backbone interact. energy: 0.886
local terms energy: -752.892612
where:
bonds (distance) C4'-P energy: -148.333
bonds (distance) P-C4' energy: -135.456
flat angles C4'-P-C4' energy: -167.177
flat angles P-C4'-P energy: -108.883
tors. eta vs tors. theta energy: -193.045
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: 249
Temperature: 1.150000
Total energy: -2263.403524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.403524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.276168 (E_RNA)
where:
Base-Base interactions energy: -1548.033
where: short stacking energy: -662.694
Base-Backbone interact. energy: 8.940
local terms energy: -728.183076
where:
bonds (distance) C4'-P energy: -136.667
bonds (distance) P-C4' energy: -145.349
flat angles C4'-P-C4' energy: -150.154
flat angles P-C4'-P energy: -106.303
tors. eta vs tors. theta energy: -189.710
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: 7, replica: 6
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -2058.767095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.767095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.898238 (E_RNA)
where:
Base-Base interactions energy: -1396.074
where: short stacking energy: -574.434
Base-Backbone interact. energy: 3.490
local terms energy: -670.313908
where:
bonds (distance) C4'-P energy: -136.605
bonds (distance) P-C4' energy: -142.658
flat angles C4'-P-C4' energy: -133.618
flat angles P-C4'-P energy: -108.440
tors. eta vs tors. theta energy: -148.994
Dist. restrs. and SS energy: 4.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -2038.583771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.583771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.752749 (E_RNA)
where:
Base-Base interactions energy: -1366.016
where: short stacking energy: -589.399
Base-Backbone interact. energy: -1.258
local terms energy: -674.478294
where:
bonds (distance) C4'-P energy: -132.025
bonds (distance) P-C4' energy: -131.429
flat angles C4'-P-C4' energy: -159.659
flat angles P-C4'-P energy: -85.442
tors. eta vs tors. theta energy: -165.923
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: 9, replica: 8
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -1948.391995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.391995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.194313 (E_RNA)
where:
Base-Base interactions energy: -1297.255
where: short stacking energy: -554.274
Base-Backbone interact. energy: -4.936
local terms energy: -649.003319
where:
bonds (distance) C4'-P energy: -136.057
bonds (distance) P-C4' energy: -139.259
flat angles C4'-P-C4' energy: -134.261
flat angles P-C4'-P energy: -94.597
tors. eta vs tors. theta energy: -144.829
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: 10, replica: 5
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -1894.291800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.291800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.988525 (E_RNA)
where:
Base-Base interactions energy: -1273.143
where: short stacking energy: -558.110
Base-Backbone interact. energy: -0.504
local terms energy: -625.341566
where:
bonds (distance) C4'-P energy: -131.126
bonds (distance) P-C4' energy: -126.903
flat angles C4'-P-C4' energy: -140.698
flat angles P-C4'-P energy: -68.755
tors. eta vs tors. theta energy: -157.860
Dist. restrs. and SS energy: 4.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -2840.006882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.006882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2840.780889 (E_RNA)
where:
Base-Base interactions energy: -1936.466
where: short stacking energy: -830.754
Base-Backbone interact. energy: -1.384
local terms energy: -902.930738
where:
bonds (distance) C4'-P energy: -163.544
bonds (distance) P-C4' energy: -174.680
flat angles C4'-P-C4' energy: -183.172
flat angles P-C4'-P energy: -131.766
tors. eta vs tors. theta energy: -249.769
Dist. restrs. and SS energy: 0.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -2735.143616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.143616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.905824 (E_RNA)
where:
Base-Base interactions energy: -1871.402
where: short stacking energy: -774.606
Base-Backbone interact. energy: -2.345
local terms energy: -864.159029
where:
bonds (distance) C4'-P energy: -174.765
bonds (distance) P-C4' energy: -159.825
flat angles C4'-P-C4' energy: -173.610
flat angles P-C4'-P energy: -121.133
tors. eta vs tors. theta energy: -234.825
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: 3, replica: 7
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -2680.282318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.282318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.241710 (E_RNA)
where:
Base-Base interactions energy: -1858.498
where: short stacking energy: -775.379
Base-Backbone interact. energy: -0.237
local terms energy: -822.507130
where:
bonds (distance) C4'-P energy: -142.270
bonds (distance) P-C4' energy: -142.798
flat angles C4'-P-C4' energy: -174.675
flat angles P-C4'-P energy: -121.172
tors. eta vs tors. theta energy: -241.592
Dist. restrs. and SS energy: 0.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -2472.009241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.009241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.054994 (E_RNA)
where:
Base-Base interactions energy: -1657.066
where: short stacking energy: -710.079
Base-Backbone interact. energy: 0.684
local terms energy: -818.672557
where:
bonds (distance) C4'-P energy: -171.469
bonds (distance) P-C4' energy: -149.805
flat angles C4'-P-C4' energy: -185.428
flat angles P-C4'-P energy: -109.575
tors. eta vs tors. theta energy: -202.396
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: 5, replica: 4
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -2335.526359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.526359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.830920 (E_RNA)
where:
Base-Base interactions energy: -1612.050
where: short stacking energy: -681.878
Base-Backbone interact. energy: -5.470
local terms energy: -719.310744
where:
bonds (distance) C4'-P energy: -148.352
bonds (distance) P-C4' energy: -123.123
flat angles C4'-P-C4' energy: -152.675
flat angles P-C4'-P energy: -100.529
tors. eta vs tors. theta energy: -194.632
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: 6, replica: 1
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -2255.416487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.416487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.653709 (E_RNA)
where:
Base-Base interactions energy: -1559.332
where: short stacking energy: -658.513
Base-Backbone interact. energy: -0.210
local terms energy: -698.111853
where:
bonds (distance) C4'-P energy: -130.766
bonds (distance) P-C4' energy: -133.468
flat angles C4'-P-C4' energy: -158.143
flat angles P-C4'-P energy: -102.568
tors. eta vs tors. theta energy: -173.167
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: 6
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -2071.489511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.489511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.729318 (E_RNA)
where:
Base-Base interactions energy: -1414.845
where: short stacking energy: -582.120
Base-Backbone interact. energy: 4.940
local terms energy: -664.824249
where:
bonds (distance) C4'-P energy: -145.994
bonds (distance) P-C4' energy: -147.633
flat angles C4'-P-C4' energy: -160.105
flat angles P-C4'-P energy: -75.682
tors. eta vs tors. theta energy: -135.411
Dist. restrs. and SS energy: 3.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -1989.277641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.277641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.675866 (E_RNA)
where:
Base-Base interactions energy: -1345.185
where: short stacking energy: -566.763
Base-Backbone interact. energy: 5.464
local terms energy: -651.955240
where:
bonds (distance) C4'-P energy: -133.078
bonds (distance) P-C4' energy: -112.689
flat angles C4'-P-C4' energy: -151.759
flat angles P-C4'-P energy: -90.184
tors. eta vs tors. theta energy: -164.245
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: 9, replica: 8
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -1915.317489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.317489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.969071 (E_RNA)
where:
Base-Base interactions energy: -1268.494
where: short stacking energy: -521.623
Base-Backbone interact. energy: 0.114
local terms energy: -652.589237
where:
bonds (distance) C4'-P energy: -105.682
bonds (distance) P-C4' energy: -149.213
flat angles C4'-P-C4' energy: -149.502
flat angles P-C4'-P energy: -114.372
tors. eta vs tors. theta energy: -133.820
Dist. restrs. and SS energy: 5.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -1859.367260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.367260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.532056 (E_RNA)
where:
Base-Base interactions energy: -1282.110
where: short stacking energy: -566.203
Base-Backbone interact. energy: -1.005
local terms energy: -582.417104
where:
bonds (distance) C4'-P energy: -128.978
bonds (distance) P-C4' energy: -130.183
flat angles C4'-P-C4' energy: -128.474
flat angles P-C4'-P energy: -52.756
tors. eta vs tors. theta energy: -142.025
Dist. restrs. and SS energy: 6.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -2826.089553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2826.089553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.243740 (E_RNA)
where:
Base-Base interactions energy: -1927.112
where: short stacking energy: -842.565
Base-Backbone interact. energy: 0.901
local terms energy: -901.032285
where:
bonds (distance) C4'-P energy: -165.566
bonds (distance) P-C4' energy: -163.893
flat angles C4'-P-C4' energy: -194.273
flat angles P-C4'-P energy: -120.884
tors. eta vs tors. theta energy: -256.416
Dist. restrs. and SS energy: 1.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -2696.571636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.571636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.961875 (E_RNA)
where:
Base-Base interactions energy: -1883.164
where: short stacking energy: -795.828
Base-Backbone interact. energy: 1.181
local terms energy: -816.979071
where:
bonds (distance) C4'-P energy: -149.092
bonds (distance) P-C4' energy: -150.528
flat angles C4'-P-C4' energy: -178.626
flat angles P-C4'-P energy: -114.201
tors. eta vs tors. theta energy: -224.532
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: 3, replica: 7
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -2660.655432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.655432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.531349 (E_RNA)
where:
Base-Base interactions energy: -1840.788
where: short stacking energy: -765.662
Base-Backbone interact. energy: -1.917
local terms energy: -819.826249
where:
bonds (distance) C4'-P energy: -143.420
bonds (distance) P-C4' energy: -145.006
flat angles C4'-P-C4' energy: -182.094
flat angles P-C4'-P energy: -111.581
tors. eta vs tors. theta energy: -237.725
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: 2
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -2481.072716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.072716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.930980 (E_RNA)
where:
Base-Base interactions energy: -1695.754
where: short stacking energy: -747.372
Base-Backbone interact. energy: -2.367
local terms energy: -784.810338
where:
bonds (distance) C4'-P energy: -137.065
bonds (distance) P-C4' energy: -155.420
flat angles C4'-P-C4' energy: -165.924
flat angles P-C4'-P energy: -107.547
tors. eta vs tors. theta energy: -218.855
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: 5, replica: 4
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -2368.848917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.848917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.475065 (E_RNA)
where:
Base-Base interactions energy: -1599.885
where: short stacking energy: -716.449
Base-Backbone interact. energy: -1.299
local terms energy: -769.290555
where:
bonds (distance) C4'-P energy: -140.109
bonds (distance) P-C4' energy: -139.179
flat angles C4'-P-C4' energy: -173.548
flat angles P-C4'-P energy: -108.472
tors. eta vs tors. theta energy: -207.982
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: 6, replica: 1
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -2244.330971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.330971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.771034 (E_RNA)
where:
Base-Base interactions energy: -1523.468
where: short stacking energy: -678.046
Base-Backbone interact. energy: 1.357
local terms energy: -724.660694
where:
bonds (distance) C4'-P energy: -128.088
bonds (distance) P-C4' energy: -136.769
flat angles C4'-P-C4' energy: -167.357
flat angles P-C4'-P energy: -113.363
tors. eta vs tors. theta energy: -179.085
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: 7, replica: 6
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -2099.473690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.473690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.741226 (E_RNA)
where:
Base-Base interactions energy: -1414.732
where: short stacking energy: -603.099
Base-Backbone interact. energy: 4.241
local terms energy: -692.251026
where:
bonds (distance) C4'-P energy: -136.402
bonds (distance) P-C4' energy: -136.889
flat angles C4'-P-C4' energy: -147.316
flat angles P-C4'-P energy: -103.508
tors. eta vs tors. theta energy: -168.136
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: 8, replica: 3
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -2037.939695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.939695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.253740 (E_RNA)
where:
Base-Base interactions energy: -1392.843
where: short stacking energy: -599.528
Base-Backbone interact. energy: 0.951
local terms energy: -648.361157
where:
bonds (distance) C4'-P energy: -116.127
bonds (distance) P-C4' energy: -128.771
flat angles C4'-P-C4' energy: -152.021
flat angles P-C4'-P energy: -96.319
tors. eta vs tors. theta energy: -155.123
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: 8
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -1888.413183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.413183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.807916 (E_RNA)
where:
Base-Base interactions energy: -1306.675
where: short stacking energy: -546.635
Base-Backbone interact. energy: 6.264
local terms energy: -593.396924
where:
bonds (distance) C4'-P energy: -138.640
bonds (distance) P-C4' energy: -112.230
flat angles C4'-P-C4' energy: -125.345
flat angles P-C4'-P energy: -74.270
tors. eta vs tors. theta energy: -142.912
Dist. restrs. and SS energy: 5.395 (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: 5
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -1908.471670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.471670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.316664 (E_RNA)
where:
Base-Base interactions energy: -1288.531
where: short stacking energy: -532.763
Base-Backbone interact. energy: 2.918
local terms energy: -625.704208
where:
bonds (distance) C4'-P energy: -133.817
bonds (distance) P-C4' energy: -121.972
flat angles C4'-P-C4' energy: -140.199
flat angles P-C4'-P energy: -87.685
tors. eta vs tors. theta energy: -142.032
Dist. restrs. and SS energy: 2.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -2825.923484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.923484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2828.492215 (E_RNA)
where:
Base-Base interactions energy: -1922.464
where: short stacking energy: -827.359
Base-Backbone interact. energy: -3.431
local terms energy: -902.597316
where:
bonds (distance) C4'-P energy: -168.759
bonds (distance) P-C4' energy: -176.188
flat angles C4'-P-C4' energy: -185.063
flat angles P-C4'-P energy: -128.951
tors. eta vs tors. theta energy: -243.637
Dist. restrs. and SS energy: 2.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -2724.781287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.781287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.042386 (E_RNA)
where:
Base-Base interactions energy: -1873.053
where: short stacking energy: -800.368
Base-Backbone interact. energy: -3.621
local terms energy: -850.368866
where:
bonds (distance) C4'-P energy: -161.508
bonds (distance) P-C4' energy: -153.689
flat angles C4'-P-C4' energy: -177.558
flat angles P-C4'-P energy: -112.373
tors. eta vs tors. theta energy: -245.240
Dist. restrs. and SS energy: 2.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -2641.395259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.395259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.899944 (E_RNA)
where:
Base-Base interactions energy: -1816.679
where: short stacking energy: -750.011
Base-Backbone interact. energy: -2.841
local terms energy: -823.380067
where:
bonds (distance) C4'-P energy: -151.050
bonds (distance) P-C4' energy: -162.574
flat angles C4'-P-C4' energy: -165.004
flat angles P-C4'-P energy: -120.312
tors. eta vs tors. theta energy: -224.439
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: 4, replica: 2
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -2482.289492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.289492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.391293 (E_RNA)
where:
Base-Base interactions energy: -1702.149
where: short stacking energy: -744.298
Base-Backbone interact. energy: 1.920
local terms energy: -784.162930
where:
bonds (distance) C4'-P energy: -133.004
bonds (distance) P-C4' energy: -148.573
flat angles C4'-P-C4' energy: -165.031
flat angles P-C4'-P energy: -113.106
tors. eta vs tors. theta energy: -224.449
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: 5, replica: 4
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -2331.135672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.135672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.378164 (E_RNA)
where:
Base-Base interactions energy: -1573.563
where: short stacking energy: -655.421
Base-Backbone interact. energy: -3.799
local terms energy: -756.015750
where:
bonds (distance) C4'-P energy: -146.822
bonds (distance) P-C4' energy: -152.979
flat angles C4'-P-C4' energy: -173.545
flat angles P-C4'-P energy: -102.445
tors. eta vs tors. theta energy: -180.225
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: 6, replica: 1
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -2202.062158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.062158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.840833 (E_RNA)
where:
Base-Base interactions energy: -1493.202
where: short stacking energy: -622.861
Base-Backbone interact. energy: 3.358
local terms energy: -713.996769
where:
bonds (distance) C4'-P energy: -134.580
bonds (distance) P-C4' energy: -152.569
flat angles C4'-P-C4' energy: -162.457
flat angles P-C4'-P energy: -107.391
tors. eta vs tors. theta energy: -157.000
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: 7, replica: 6
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -2119.520280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.520280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.181925 (E_RNA)
where:
Base-Base interactions energy: -1465.127
where: short stacking energy: -610.906
Base-Backbone interact. energy: 1.171
local terms energy: -657.225505
where:
bonds (distance) C4'-P energy: -121.978
bonds (distance) P-C4' energy: -112.313
flat angles C4'-P-C4' energy: -163.619
flat angles P-C4'-P energy: -88.045
tors. eta vs tors. theta energy: -171.269
Dist. restrs. and SS energy: 1.662 (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: 3
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -2035.757864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.757864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.210926 (E_RNA)
where:
Base-Base interactions energy: -1355.054
where: short stacking energy: -581.238
Base-Backbone interact. energy: 1.579
local terms energy: -685.736483
where:
bonds (distance) C4'-P energy: -148.260
bonds (distance) P-C4' energy: -140.996
flat angles C4'-P-C4' energy: -153.514
flat angles P-C4'-P energy: -92.727
tors. eta vs tors. theta energy: -150.240
Dist. restrs. and SS energy: 3.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -1925.512297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.512297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.875191 (E_RNA)
where:
Base-Base interactions energy: -1268.431
where: short stacking energy: -527.140
Base-Backbone interact. energy: -4.815
local terms energy: -654.629969
where:
bonds (distance) C4'-P energy: -136.350
bonds (distance) P-C4' energy: -124.452
flat angles C4'-P-C4' energy: -162.332
flat angles P-C4'-P energy: -84.015
tors. eta vs tors. theta energy: -147.481
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: 10, replica: 8
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -1805.490911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.490911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.061925 (E_RNA)
where:
Base-Base interactions energy: -1230.387
where: short stacking energy: -506.463
Base-Backbone interact. energy: 0.619
local terms energy: -578.293599
where:
bonds (distance) C4'-P energy: -133.306
bonds (distance) P-C4' energy: -119.968
flat angles C4'-P-C4' energy: -132.377
flat angles P-C4'-P energy: -84.594
tors. eta vs tors. theta energy: -108.048
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: 1, replica: 9
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -2855.440478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2855.440478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2857.281421 (E_RNA)
where:
Base-Base interactions energy: -1967.356
where: short stacking energy: -872.392
Base-Backbone interact. energy: -0.835
local terms energy: -889.090567
where:
bonds (distance) C4'-P energy: -148.353
bonds (distance) P-C4' energy: -163.097
flat angles C4'-P-C4' energy: -182.737
flat angles P-C4'-P energy: -130.083
tors. eta vs tors. theta energy: -264.821
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: 2, replica: 10
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -2740.971039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.971039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.234481 (E_RNA)
where:
Base-Base interactions energy: -1865.258
where: short stacking energy: -821.353
Base-Backbone interact. energy: 0.784
local terms energy: -878.761102
where:
bonds (distance) C4'-P energy: -167.433
bonds (distance) P-C4' energy: -156.649
flat angles C4'-P-C4' energy: -188.882
flat angles P-C4'-P energy: -133.947
tors. eta vs tors. theta energy: -231.849
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: 3, replica: 7
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -2678.989576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.989576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.319979 (E_RNA)
where:
Base-Base interactions energy: -1853.810
where: short stacking energy: -781.298
Base-Backbone interact. energy: -1.413
local terms energy: -825.096769
where:
bonds (distance) C4'-P energy: -162.349
bonds (distance) P-C4' energy: -148.539
flat angles C4'-P-C4' energy: -174.222
flat angles P-C4'-P energy: -112.557
tors. eta vs tors. theta energy: -227.430
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: 2
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -2448.523450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.523450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.928289 (E_RNA)
where:
Base-Base interactions energy: -1697.310
where: short stacking energy: -734.593
Base-Backbone interact. energy: -3.073
local terms energy: -750.544785
where:
bonds (distance) C4'-P energy: -140.191
bonds (distance) P-C4' energy: -135.400
flat angles C4'-P-C4' energy: -155.420
flat angles P-C4'-P energy: -114.571
tors. eta vs tors. theta energy: -204.963
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: 4
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -2396.914194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.914194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.336806 (E_RNA)
where:
Base-Base interactions energy: -1631.293
where: short stacking energy: -700.502
Base-Backbone interact. energy: 0.875
local terms energy: -769.918460
where:
bonds (distance) C4'-P energy: -134.300
bonds (distance) P-C4' energy: -163.899
flat angles C4'-P-C4' energy: -169.965
flat angles P-C4'-P energy: -99.486
tors. eta vs tors. theta energy: -202.269
Dist. restrs. and SS energy: 3.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -2204.059022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.059022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.065788 (E_RNA)
where:
Base-Base interactions energy: -1499.897
where: short stacking energy: -623.540
Base-Backbone interact. energy: 2.696
local terms energy: -708.865621
where:
bonds (distance) C4'-P energy: -153.199
bonds (distance) P-C4' energy: -144.191
flat angles C4'-P-C4' energy: -158.544
flat angles P-C4'-P energy: -87.662
tors. eta vs tors. theta energy: -165.270
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: 6
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -2123.234794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.234794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.555722 (E_RNA)
where:
Base-Base interactions energy: -1447.858
where: short stacking energy: -624.149
Base-Backbone interact. energy: 2.887
local terms energy: -680.584123
where:
bonds (distance) C4'-P energy: -121.903
bonds (distance) P-C4' energy: -145.972
flat angles C4'-P-C4' energy: -158.880
flat angles P-C4'-P energy: -96.926
tors. eta vs tors. theta energy: -156.903
Dist. restrs. and SS energy: 2.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -2014.744945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.744945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.116304 (E_RNA)
where:
Base-Base interactions energy: -1350.610
where: short stacking energy: -589.787
Base-Backbone interact. energy: -3.498
local terms energy: -663.008226
where:
bonds (distance) C4'-P energy: -124.279
bonds (distance) P-C4' energy: -132.140
flat angles C4'-P-C4' energy: -149.400
flat angles P-C4'-P energy: -98.186
tors. eta vs tors. theta energy: -159.003
Dist. restrs. and SS energy: 2.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -1987.781336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.781336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.257820 (E_RNA)
where:
Base-Base interactions energy: -1341.610
where: short stacking energy: -588.379
Base-Backbone interact. energy: -1.321
local terms energy: -647.326528
where:
bonds (distance) C4'-P energy: -127.333
bonds (distance) P-C4' energy: -130.976
flat angles C4'-P-C4' energy: -144.589
flat angles P-C4'-P energy: -91.701
tors. eta vs tors. theta energy: -152.727
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: 10, replica: 8
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -1793.129018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.129018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.972092 (E_RNA)
where:
Base-Base interactions energy: -1221.014
where: short stacking energy: -534.194
Base-Backbone interact. energy: -2.532
local terms energy: -580.425870
where:
bonds (distance) C4'-P energy: -114.067
bonds (distance) P-C4' energy: -132.091
flat angles C4'-P-C4' energy: -133.063
flat angles P-C4'-P energy: -65.832
tors. eta vs tors. theta energy: -135.373
Dist. restrs. and SS energy: 10.843 (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: 10
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -2803.417692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.417692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.230681 (E_RNA)
where:
Base-Base interactions energy: -1931.618
where: short stacking energy: -858.472
Base-Backbone interact. energy: 1.027
local terms energy: -875.639925
where:
bonds (distance) C4'-P energy: -156.615
bonds (distance) P-C4' energy: -167.935
flat angles C4'-P-C4' energy: -177.676
flat angles P-C4'-P energy: -121.358
tors. eta vs tors. theta energy: -252.056
Dist. restrs. and SS energy: 2.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -2752.024722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.024722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.586264 (E_RNA)
where:
Base-Base interactions energy: -1885.430
where: short stacking energy: -819.351
Base-Backbone interact. energy: 0.371
local terms energy: -869.527235
where:
bonds (distance) C4'-P energy: -165.607
bonds (distance) P-C4' energy: -153.172
flat angles C4'-P-C4' energy: -180.200
flat angles P-C4'-P energy: -126.083
tors. eta vs tors. theta energy: -244.465
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: 3, replica: 7
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -2696.855336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.855336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.477611 (E_RNA)
where:
Base-Base interactions energy: -1855.657
where: short stacking energy: -785.102
Base-Backbone interact. energy: -4.344
local terms energy: -838.476772
where:
bonds (distance) C4'-P energy: -164.457
bonds (distance) P-C4' energy: -157.747
flat angles C4'-P-C4' energy: -173.834
flat angles P-C4'-P energy: -127.083
tors. eta vs tors. theta energy: -215.355
Dist. restrs. and SS energy: 1.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -2509.689350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.689350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.798042 (E_RNA)
where:
Base-Base interactions energy: -1729.961
where: short stacking energy: -747.648
Base-Backbone interact. energy: 6.034
local terms energy: -788.871226
where:
bonds (distance) C4'-P energy: -145.124
bonds (distance) P-C4' energy: -141.522
flat angles C4'-P-C4' energy: -168.201
flat angles P-C4'-P energy: -123.547
tors. eta vs tors. theta energy: -210.478
Dist. restrs. and SS energy: 3.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -2436.888532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.888532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.425660 (E_RNA)
where:
Base-Base interactions energy: -1666.467
where: short stacking energy: -711.837
Base-Backbone interact. energy: -1.850
local terms energy: -771.108042
where:
bonds (distance) C4'-P energy: -137.197
bonds (distance) P-C4' energy: -151.784
flat angles C4'-P-C4' energy: -170.503
flat angles P-C4'-P energy: -105.349
tors. eta vs tors. theta energy: -206.275
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: 6, replica: 1
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -2227.469728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.469728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.197331 (E_RNA)
where:
Base-Base interactions energy: -1514.502
where: short stacking energy: -662.486
Base-Backbone interact. energy: 0.686
local terms energy: -716.381434
where:
bonds (distance) C4'-P energy: -143.775
bonds (distance) P-C4' energy: -129.902
flat angles C4'-P-C4' energy: -155.659
flat angles P-C4'-P energy: -99.367
tors. eta vs tors. theta energy: -187.679
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: 7, replica: 6
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -2156.727207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.727207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.010476 (E_RNA)
where:
Base-Base interactions energy: -1487.635
where: short stacking energy: -632.250
Base-Backbone interact. energy: 3.544
local terms energy: -674.919600
where:
bonds (distance) C4'-P energy: -121.584
bonds (distance) P-C4' energy: -135.637
flat angles C4'-P-C4' energy: -151.050
flat angles P-C4'-P energy: -92.525
tors. eta vs tors. theta energy: -174.124
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: 3
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -1940.182438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.182438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.076586 (E_RNA)
where:
Base-Base interactions energy: -1304.073
where: short stacking energy: -543.957
Base-Backbone interact. energy: -1.093
local terms energy: -637.910688
where:
bonds (distance) C4'-P energy: -127.088
bonds (distance) P-C4' energy: -120.576
flat angles C4'-P-C4' energy: -162.842
flat angles P-C4'-P energy: -98.185
tors. eta vs tors. theta energy: -129.220
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: 9, replica: 5
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -1966.570706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.570706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.173717 (E_RNA)
where:
Base-Base interactions energy: -1333.371
where: short stacking energy: -543.432
Base-Backbone interact. energy: -3.293
local terms energy: -632.510014
where:
bonds (distance) C4'-P energy: -126.517
bonds (distance) P-C4' energy: -127.458
flat angles C4'-P-C4' energy: -129.941
flat angles P-C4'-P energy: -105.408
tors. eta vs tors. theta energy: -143.186
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: 10, replica: 8
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -1816.924717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.924717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.681179 (E_RNA)
where:
Base-Base interactions energy: -1237.829
where: short stacking energy: -528.644
Base-Backbone interact. energy: -0.907
local terms energy: -585.944729
where:
bonds (distance) C4'-P energy: -118.244
bonds (distance) P-C4' energy: -129.361
flat angles C4'-P-C4' energy: -134.283
flat angles P-C4'-P energy: -60.376
tors. eta vs tors. theta energy: -143.682
Dist. restrs. and SS energy: 7.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -2824.451187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.451187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.662966 (E_RNA)
where:
Base-Base interactions energy: -1945.194
where: short stacking energy: -805.738
Base-Backbone interact. energy: -1.278
local terms energy: -881.191205
where:
bonds (distance) C4'-P energy: -150.624
bonds (distance) P-C4' energy: -166.881
flat angles C4'-P-C4' energy: -187.701
flat angles P-C4'-P energy: -125.198
tors. eta vs tors. theta energy: -250.787
Dist. restrs. and SS energy: 3.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -2740.454560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.454560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.268202 (E_RNA)
where:
Base-Base interactions energy: -1879.324
where: short stacking energy: -806.747
Base-Backbone interact. energy: 5.358
local terms energy: -868.302382
where:
bonds (distance) C4'-P energy: -154.426
bonds (distance) P-C4' energy: -159.272
flat angles C4'-P-C4' energy: -180.927
flat angles P-C4'-P energy: -126.014
tors. eta vs tors. theta energy: -247.664
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: 3, replica: 7
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -2676.318286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.318286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.619906 (E_RNA)
where:
Base-Base interactions energy: -1852.294
where: short stacking energy: -801.390
Base-Backbone interact. energy: 3.373
local terms energy: -828.699437
where:
bonds (distance) C4'-P energy: -144.584
bonds (distance) P-C4' energy: -159.519
flat angles C4'-P-C4' energy: -180.033
flat angles P-C4'-P energy: -109.057
tors. eta vs tors. theta energy: -235.505
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: 4, replica: 2
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -2539.085300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.085300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.316424 (E_RNA)
where:
Base-Base interactions energy: -1743.885
where: short stacking energy: -716.047
Base-Backbone interact. energy: 3.427
local terms energy: -800.858072
where:
bonds (distance) C4'-P energy: -139.282
bonds (distance) P-C4' energy: -149.804
flat angles C4'-P-C4' energy: -168.479
flat angles P-C4'-P energy: -125.909
tors. eta vs tors. theta energy: -217.383
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: 4
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -2363.170660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.170660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.090233 (E_RNA)
where:
Base-Base interactions energy: -1587.562
where: short stacking energy: -665.995
Base-Backbone interact. energy: -6.609
local terms energy: -770.919425
where:
bonds (distance) C4'-P energy: -163.667
bonds (distance) P-C4' energy: -155.730
flat angles C4'-P-C4' energy: -162.596
flat angles P-C4'-P energy: -94.159
tors. eta vs tors. theta energy: -194.768
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: 6, replica: 1
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -2207.760795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.760795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.424165 (E_RNA)
where:
Base-Base interactions energy: -1499.061
where: short stacking energy: -647.858
Base-Backbone interact. energy: -1.444
local terms energy: -709.918635
where:
bonds (distance) C4'-P energy: -136.320
bonds (distance) P-C4' energy: -151.323
flat angles C4'-P-C4' energy: -152.430
flat angles P-C4'-P energy: -89.772
tors. eta vs tors. theta energy: -180.074
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: 6
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -2227.254826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.254826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.252384 (E_RNA)
where:
Base-Base interactions energy: -1526.064
where: short stacking energy: -631.459
Base-Backbone interact. energy: 3.346
local terms energy: -707.533776
where:
bonds (distance) C4'-P energy: -137.873
bonds (distance) P-C4' energy: -143.773
flat angles C4'-P-C4' energy: -153.817
flat angles P-C4'-P energy: -94.599
tors. eta vs tors. theta energy: -177.472
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: 255
Temperature: 1.250000
Total energy: -1993.593804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.593804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.889668 (E_RNA)
where:
Base-Base interactions energy: -1327.726
where: short stacking energy: -584.789
Base-Backbone interact. energy: 3.549
local terms energy: -673.712149
where:
bonds (distance) C4'-P energy: -142.115
bonds (distance) P-C4' energy: -154.270
flat angles C4'-P-C4' energy: -151.208
flat angles P-C4'-P energy: -80.245
tors. eta vs tors. theta energy: -145.875
Dist. restrs. and SS energy: 4.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -1895.024383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.024383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.706293 (E_RNA)
where:
Base-Base interactions energy: -1253.918
where: short stacking energy: -526.957
Base-Backbone interact. energy: -0.389
local terms energy: -644.399505
where:
bonds (distance) C4'-P energy: -110.593
bonds (distance) P-C4' energy: -165.041
flat angles C4'-P-C4' energy: -140.429
flat angles P-C4'-P energy: -91.412
tors. eta vs tors. theta energy: -136.924
Dist. restrs. and SS energy: 3.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -1904.700571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.700571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.895864 (E_RNA)
where:
Base-Base interactions energy: -1278.124
where: short stacking energy: -553.064
Base-Backbone interact. energy: -3.308
local terms energy: -626.463420
where:
bonds (distance) C4'-P energy: -107.264
bonds (distance) P-C4' energy: -129.589
flat angles C4'-P-C4' energy: -157.684
flat angles P-C4'-P energy: -84.303
tors. eta vs tors. theta energy: -147.624
Dist. restrs. and SS energy: 3.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -2815.909172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.909172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.522525 (E_RNA)
where:
Base-Base interactions energy: -1933.968
where: short stacking energy: -843.390
Base-Backbone interact. energy: 0.137
local terms energy: -885.691403
where:
bonds (distance) C4'-P energy: -174.615
bonds (distance) P-C4' energy: -159.969
flat angles C4'-P-C4' energy: -180.009
flat angles P-C4'-P energy: -122.489
tors. eta vs tors. theta energy: -248.609
Dist. restrs. and SS energy: 3.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -2761.605893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.605893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.720547 (E_RNA)
where:
Base-Base interactions energy: -1883.045
where: short stacking energy: -836.164
Base-Backbone interact. energy: -4.001
local terms energy: -875.674671
where:
bonds (distance) C4'-P energy: -168.310
bonds (distance) P-C4' energy: -153.298
flat angles C4'-P-C4' energy: -177.248
flat angles P-C4'-P energy: -130.203
tors. eta vs tors. theta energy: -246.615
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: 7
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -2647.269524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.269524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.812120 (E_RNA)
where:
Base-Base interactions energy: -1837.980
where: short stacking energy: -782.622
Base-Backbone interact. energy: -1.419
local terms energy: -809.413321
where:
bonds (distance) C4'-P energy: -156.561
bonds (distance) P-C4' energy: -137.643
flat angles C4'-P-C4' energy: -179.991
flat angles P-C4'-P energy: -105.442
tors. eta vs tors. theta energy: -229.777
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: 4, replica: 2
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -2529.257463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.257463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.891607 (E_RNA)
where:
Base-Base interactions energy: -1727.873
where: short stacking energy: -744.714
Base-Backbone interact. energy: -2.549
local terms energy: -800.468954
where:
bonds (distance) C4'-P energy: -161.794
bonds (distance) P-C4' energy: -142.037
flat angles C4'-P-C4' energy: -176.521
flat angles P-C4'-P energy: -108.769
tors. eta vs tors. theta energy: -211.348
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: 5, replica: 4
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -2365.765720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.765720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.796543 (E_RNA)
where:
Base-Base interactions energy: -1568.271
where: short stacking energy: -672.491
Base-Backbone interact. energy: -0.357
local terms energy: -800.168292
where:
bonds (distance) C4'-P energy: -155.492
bonds (distance) P-C4' energy: -171.943
flat angles C4'-P-C4' energy: -169.694
flat angles P-C4'-P energy: -110.243
tors. eta vs tors. theta energy: -192.796
Dist. restrs. and SS energy: 3.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -2230.501589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.501589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.056573 (E_RNA)
where:
Base-Base interactions energy: -1534.807
where: short stacking energy: -636.886
Base-Backbone interact. energy: -2.078
local terms energy: -697.171265
where:
bonds (distance) C4'-P energy: -141.936
bonds (distance) P-C4' energy: -125.950
flat angles C4'-P-C4' energy: -151.592
flat angles P-C4'-P energy: -98.481
tors. eta vs tors. theta energy: -179.214
Dist. restrs. and SS energy: 3.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -2170.876685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.876685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.138495 (E_RNA)
where:
Base-Base interactions energy: -1472.633
where: short stacking energy: -624.860
Base-Backbone interact. energy: -2.808
local terms energy: -699.697976
where:
bonds (distance) C4'-P energy: -121.838
bonds (distance) P-C4' energy: -152.771
flat angles C4'-P-C4' energy: -163.311
flat angles P-C4'-P energy: -85.218
tors. eta vs tors. theta energy: -176.559
Dist. restrs. and SS energy: 4.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -1963.251039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.251039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.537164 (E_RNA)
where:
Base-Base interactions energy: -1340.672
where: short stacking energy: -558.397
Base-Backbone interact. energy: 1.960
local terms energy: -627.825241
where:
bonds (distance) C4'-P energy: -121.613
bonds (distance) P-C4' energy: -137.875
flat angles C4'-P-C4' energy: -128.337
flat angles P-C4'-P energy: -107.170
tors. eta vs tors. theta energy: -132.830
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: 5
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -1852.654289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.654289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.328057 (E_RNA)
where:
Base-Base interactions energy: -1256.810
where: short stacking energy: -507.465
Base-Backbone interact. energy: -0.425
local terms energy: -600.092849
where:
bonds (distance) C4'-P energy: -125.172
bonds (distance) P-C4' energy: -151.228
flat angles C4'-P-C4' energy: -128.300
flat angles P-C4'-P energy: -84.446
tors. eta vs tors. theta energy: -110.947
Dist. restrs. and SS energy: 4.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -1833.627828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.627828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.311665 (E_RNA)
where:
Base-Base interactions energy: -1229.646
where: short stacking energy: -500.481
Base-Backbone interact. energy: 0.252
local terms energy: -607.917453
where:
bonds (distance) C4'-P energy: -140.270
bonds (distance) P-C4' energy: -118.752
flat angles C4'-P-C4' energy: -142.955
flat angles P-C4'-P energy: -73.850
tors. eta vs tors. theta energy: -132.090
Dist. restrs. and SS energy: 3.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -2831.690519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2831.690519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2834.509104 (E_RNA)
where:
Base-Base interactions energy: -1943.946
where: short stacking energy: -841.400
Base-Backbone interact. energy: -2.192
local terms energy: -888.371123
where:
bonds (distance) C4'-P energy: -172.622
bonds (distance) P-C4' energy: -161.654
flat angles C4'-P-C4' energy: -183.526
flat angles P-C4'-P energy: -119.802
tors. eta vs tors. theta energy: -250.768
Dist. restrs. and SS energy: 2.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -2766.593691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.593691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.898436 (E_RNA)
where:
Base-Base interactions energy: -1885.341
where: short stacking energy: -856.052
Base-Backbone interact. energy: -2.151
local terms energy: -880.406381
where:
bonds (distance) C4'-P energy: -164.950
bonds (distance) P-C4' energy: -146.103
flat angles C4'-P-C4' energy: -185.588
flat angles P-C4'-P energy: -125.776
tors. eta vs tors. theta energy: -257.990
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: 3, replica: 7
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -2646.063065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.063065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.560554 (E_RNA)
where:
Base-Base interactions energy: -1846.595
where: short stacking energy: -790.156
Base-Backbone interact. energy: 3.180
local terms energy: -804.145110
where:
bonds (distance) C4'-P energy: -146.650
bonds (distance) P-C4' energy: -140.589
flat angles C4'-P-C4' energy: -170.730
flat angles P-C4'-P energy: -109.717
tors. eta vs tors. theta energy: -236.460
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: 2
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -2544.023165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.023165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.005031 (E_RNA)
where:
Base-Base interactions energy: -1758.615
where: short stacking energy: -760.297
Base-Backbone interact. energy: -1.715
local terms energy: -785.674981
where:
bonds (distance) C4'-P energy: -135.036
bonds (distance) P-C4' energy: -149.073
flat angles C4'-P-C4' energy: -175.926
flat angles P-C4'-P energy: -109.376
tors. eta vs tors. theta energy: -216.264
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: 4
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -2383.643986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.643986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.212399 (E_RNA)
where:
Base-Base interactions energy: -1617.189
where: short stacking energy: -688.339
Base-Backbone interact. energy: -1.236
local terms energy: -766.786792
where:
bonds (distance) C4'-P energy: -153.963
bonds (distance) P-C4' energy: -139.313
flat angles C4'-P-C4' energy: -163.207
flat angles P-C4'-P energy: -113.235
tors. eta vs tors. theta energy: -197.068
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: 1
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -2233.002289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.002289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.528474 (E_RNA)
where:
Base-Base interactions energy: -1513.336
where: short stacking energy: -634.571
Base-Backbone interact. energy: -2.009
local terms energy: -720.182845
where:
bonds (distance) C4'-P energy: -140.843
bonds (distance) P-C4' energy: -141.874
flat angles C4'-P-C4' energy: -153.059
flat angles P-C4'-P energy: -99.905
tors. eta vs tors. theta energy: -184.502
Dist. restrs. and SS energy: 2.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -2154.891298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.891298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.808590 (E_RNA)
where:
Base-Base interactions energy: -1445.582
where: short stacking energy: -617.512
Base-Backbone interact. energy: -0.829
local terms energy: -711.397584
where:
bonds (distance) C4'-P energy: -148.914
bonds (distance) P-C4' energy: -137.703
flat angles C4'-P-C4' energy: -156.384
flat angles P-C4'-P energy: -102.256
tors. eta vs tors. theta energy: -166.141
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: 8, replica: 3
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -1996.386911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.386911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.914231 (E_RNA)
where:
Base-Base interactions energy: -1348.065
where: short stacking energy: -576.413
Base-Backbone interact. energy: -3.416
local terms energy: -647.433190
where:
bonds (distance) C4'-P energy: -121.691
bonds (distance) P-C4' energy: -137.751
flat angles C4'-P-C4' energy: -136.771
flat angles P-C4'-P energy: -95.670
tors. eta vs tors. theta energy: -155.551
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: 5
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -1896.427543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.427543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.742367 (E_RNA)
where:
Base-Base interactions energy: -1285.477
where: short stacking energy: -547.842
Base-Backbone interact. energy: 8.868
local terms energy: -623.132626
where:
bonds (distance) C4'-P energy: -120.579
bonds (distance) P-C4' energy: -129.536
flat angles C4'-P-C4' energy: -152.345
flat angles P-C4'-P energy: -81.341
tors. eta vs tors. theta energy: -139.331
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: 10, replica: 8
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -1871.639062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.639062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.530584 (E_RNA)
where:
Base-Base interactions energy: -1281.782
where: short stacking energy: -524.659
Base-Backbone interact. energy: -1.734
local terms energy: -591.014696
where:
bonds (distance) C4'-P energy: -122.312
bonds (distance) P-C4' energy: -112.316
flat angles C4'-P-C4' energy: -147.928
flat angles P-C4'-P energy: -82.162
tors. eta vs tors. theta energy: -126.296
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: 10
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -2836.379522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2836.379522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.276779 (E_RNA)
where:
Base-Base interactions energy: -1958.328
where: short stacking energy: -855.885
Base-Backbone interact. energy: -6.649
local terms energy: -873.299462
where:
bonds (distance) C4'-P energy: -162.452
bonds (distance) P-C4' energy: -156.026
flat angles C4'-P-C4' energy: -186.933
flat angles P-C4'-P energy: -122.152
tors. eta vs tors. theta energy: -245.737
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: 2, replica: 9
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -2749.028266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.028266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.261084 (E_RNA)
where:
Base-Base interactions energy: -1888.667
where: short stacking energy: -796.107
Base-Backbone interact. energy: -3.432
local terms energy: -858.162917
where:
bonds (distance) C4'-P energy: -155.030
bonds (distance) P-C4' energy: -159.344
flat angles C4'-P-C4' energy: -172.740
flat angles P-C4'-P energy: -133.347
tors. eta vs tors. theta energy: -237.701
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: 3, replica: 7
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -2683.421957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.421957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.219821 (E_RNA)
where:
Base-Base interactions energy: -1855.790
where: short stacking energy: -785.784
Base-Backbone interact. energy: -1.195
local terms energy: -829.233858
where:
bonds (distance) C4'-P energy: -143.965
bonds (distance) P-C4' energy: -165.154
flat angles C4'-P-C4' energy: -169.578
flat angles P-C4'-P energy: -125.611
tors. eta vs tors. theta energy: -224.926
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: 4, replica: 2
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -2556.030867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.030867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.766855 (E_RNA)
where:
Base-Base interactions energy: -1772.461
where: short stacking energy: -736.583
Base-Backbone interact. energy: -3.325
local terms energy: -782.980744
where:
bonds (distance) C4'-P energy: -131.807
bonds (distance) P-C4' energy: -141.747
flat angles C4'-P-C4' energy: -174.005
flat angles P-C4'-P energy: -121.131
tors. eta vs tors. theta energy: -214.290
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: 5, replica: 4
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -2381.109661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.109661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.275079 (E_RNA)
where:
Base-Base interactions energy: -1647.888
where: short stacking energy: -692.357
Base-Backbone interact. energy: -3.212
local terms energy: -732.175406
where:
bonds (distance) C4'-P energy: -138.111
bonds (distance) P-C4' energy: -127.908
flat angles C4'-P-C4' energy: -165.375
flat angles P-C4'-P energy: -97.053
tors. eta vs tors. theta energy: -203.728
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: 6, replica: 1
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -2209.255688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.255688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.196278 (E_RNA)
where:
Base-Base interactions energy: -1489.524
where: short stacking energy: -639.621
Base-Backbone interact. energy: -0.218
local terms energy: -722.453969
where:
bonds (distance) C4'-P energy: -131.668
bonds (distance) P-C4' energy: -149.586
flat angles C4'-P-C4' energy: -158.358
flat angles P-C4'-P energy: -109.362
tors. eta vs tors. theta energy: -173.481
Dist. restrs. and SS energy: 2.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -2171.803356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.803356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.701408 (E_RNA)
where:
Base-Base interactions energy: -1471.725
where: short stacking energy: -626.488
Base-Backbone interact. energy: 3.095
local terms energy: -706.071714
where:
bonds (distance) C4'-P energy: -135.516
bonds (distance) P-C4' energy: -140.122
flat angles C4'-P-C4' energy: -158.710
flat angles P-C4'-P energy: -98.695
tors. eta vs tors. theta energy: -173.028
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: 8, replica: 3
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -2037.320551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.320551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.318208 (E_RNA)
where:
Base-Base interactions energy: -1342.957
where: short stacking energy: -546.670
Base-Backbone interact. energy: 3.336
local terms energy: -705.697730
where:
bonds (distance) C4'-P energy: -139.390
bonds (distance) P-C4' energy: -148.499
flat angles C4'-P-C4' energy: -151.507
flat angles P-C4'-P energy: -119.023
tors. eta vs tors. theta energy: -147.279
Dist. restrs. and SS energy: 7.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -1958.053938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.053938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.531476 (E_RNA)
where:
Base-Base interactions energy: -1316.699
where: short stacking energy: -543.638
Base-Backbone interact. energy: 0.403
local terms energy: -645.235579
where:
bonds (distance) C4'-P energy: -135.250
bonds (distance) P-C4' energy: -148.277
flat angles C4'-P-C4' energy: -148.340
flat angles P-C4'-P energy: -75.598
tors. eta vs tors. theta energy: -137.771
Dist. restrs. and SS energy: 3.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -1851.685045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.685045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.506492 (E_RNA)
where:
Base-Base interactions energy: -1236.277
where: short stacking energy: -524.177
Base-Backbone interact. energy: 4.892
local terms energy: -624.121452
where:
bonds (distance) C4'-P energy: -142.925
bonds (distance) P-C4' energy: -131.915
flat angles C4'-P-C4' energy: -138.845
flat angles P-C4'-P energy: -92.376
tors. eta vs tors. theta energy: -118.060
Dist. restrs. and SS energy: 3.821 (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: 10
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -2870.078079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2870.078079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2872.878604 (E_RNA)
where:
Base-Base interactions energy: -1981.788
where: short stacking energy: -834.635
Base-Backbone interact. energy: -1.876
local terms energy: -889.214628
where:
bonds (distance) C4'-P energy: -154.477
bonds (distance) P-C4' energy: -168.876
flat angles C4'-P-C4' energy: -178.629
flat angles P-C4'-P energy: -129.007
tors. eta vs tors. theta energy: -258.226
Dist. restrs. and SS energy: 2.801 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -2764.707718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.707718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.754787 (E_RNA)
where:
Base-Base interactions energy: -1917.543
where: short stacking energy: -811.834
Base-Backbone interact. energy: -2.243
local terms energy: -845.968646
where:
bonds (distance) C4'-P energy: -143.549
bonds (distance) P-C4' energy: -163.331
flat angles C4'-P-C4' energy: -186.735
flat angles P-C4'-P energy: -115.863
tors. eta vs tors. theta energy: -236.491
Dist. restrs. and SS energy: 1.047 (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: 9
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -2705.163440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.163440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.610305 (E_RNA)
where:
Base-Base interactions energy: -1864.106
where: short stacking energy: -812.391
Base-Backbone interact. energy: 0.378
local terms energy: -842.881966
where:
bonds (distance) C4'-P energy: -147.452
bonds (distance) P-C4' energy: -154.076
flat angles C4'-P-C4' energy: -178.727
flat angles P-C4'-P energy: -116.417
tors. eta vs tors. theta energy: -246.211
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: 4, replica: 2
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -2542.282579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.282579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.343817 (E_RNA)
where:
Base-Base interactions energy: -1760.564
where: short stacking energy: -748.680
Base-Backbone interact. energy: -1.489
local terms energy: -782.291017
where:
bonds (distance) C4'-P energy: -154.656
bonds (distance) P-C4' energy: -145.935
flat angles C4'-P-C4' energy: -173.290
flat angles P-C4'-P energy: -99.366
tors. eta vs tors. theta energy: -209.044
Dist. restrs. and SS energy: 2.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -2368.452949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.452949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.605548 (E_RNA)
where:
Base-Base interactions energy: -1610.706
where: short stacking energy: -680.071
Base-Backbone interact. energy: -0.709
local terms energy: -759.190489
where:
bonds (distance) C4'-P energy: -133.767
bonds (distance) P-C4' energy: -147.998
flat angles C4'-P-C4' energy: -165.515
flat angles P-C4'-P energy: -107.097
tors. eta vs tors. theta energy: -204.814
Dist. restrs. and SS energy: 2.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -2257.674077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.674077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.716968 (E_RNA)
where:
Base-Base interactions energy: -1528.851
where: short stacking energy: -656.493
Base-Backbone interact. energy: -3.469
local terms energy: -727.396656
where:
bonds (distance) C4'-P energy: -150.764
bonds (distance) P-C4' energy: -123.567
flat angles C4'-P-C4' energy: -163.588
flat angles P-C4'-P energy: -105.491
tors. eta vs tors. theta energy: -183.987
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: 7, replica: 6
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -2238.150952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.150952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.295654 (E_RNA)
where:
Base-Base interactions energy: -1524.455
where: short stacking energy: -650.167
Base-Backbone interact. energy: 4.875
local terms energy: -721.716207
where:
bonds (distance) C4'-P energy: -143.045
bonds (distance) P-C4' energy: -149.787
flat angles C4'-P-C4' energy: -154.588
flat angles P-C4'-P energy: -86.887
tors. eta vs tors. theta energy: -187.409
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: 8, replica: 3
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -2038.500047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.500047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.838550 (E_RNA)
where:
Base-Base interactions energy: -1372.773
where: short stacking energy: -571.639
Base-Backbone interact. energy: 0.230
local terms energy: -670.295450
where:
bonds (distance) C4'-P energy: -142.861
bonds (distance) P-C4' energy: -148.999
flat angles C4'-P-C4' energy: -138.495
flat angles P-C4'-P energy: -94.876
tors. eta vs tors. theta energy: -145.064
Dist. restrs. and SS energy: 4.339 (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: 259
Temperature: 1.300000
Total energy: -1966.665288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.665288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.587778 (E_RNA)
where:
Base-Base interactions energy: -1333.536
where: short stacking energy: -580.153
Base-Backbone interact. energy: -0.037
local terms energy: -635.014954
where:
bonds (distance) C4'-P energy: -132.146
bonds (distance) P-C4' energy: -123.832
flat angles C4'-P-C4' energy: -142.991
flat angles P-C4'-P energy: -86.350
tors. eta vs tors. theta energy: -149.695
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: 10, replica: 5
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -1845.616147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.616147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.464837 (E_RNA)
where:
Base-Base interactions energy: -1280.237
where: short stacking energy: -517.997
Base-Backbone interact. energy: -1.289
local terms energy: -569.938702
where:
bonds (distance) C4'-P energy: -125.669
bonds (distance) P-C4' energy: -139.277
flat angles C4'-P-C4' energy: -119.313
flat angles P-C4'-P energy: -83.165
tors. eta vs tors. theta energy: -102.515
Dist. restrs. and SS energy: 5.849 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -2865.553756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2865.553756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2867.567865 (E_RNA)
where:
Base-Base interactions energy: -1960.421
where: short stacking energy: -846.734
Base-Backbone interact. energy: -4.150
local terms energy: -902.996447
where:
bonds (distance) C4'-P energy: -158.848
bonds (distance) P-C4' energy: -159.100
flat angles C4'-P-C4' energy: -187.285
flat angles P-C4'-P energy: -141.536
tors. eta vs tors. theta energy: -256.229
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: 2, replica: 7
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -2702.486880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.486880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.470811 (E_RNA)
where:
Base-Base interactions energy: -1880.192
where: short stacking energy: -800.736
Base-Backbone interact. energy: -2.869
local terms energy: -820.409696
where:
bonds (distance) C4'-P energy: -150.838
bonds (distance) P-C4' energy: -154.201
flat angles C4'-P-C4' energy: -176.943
flat angles P-C4'-P energy: -116.846
tors. eta vs tors. theta energy: -221.582
Dist. restrs. and SS energy: 0.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -2713.770494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.770494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.333522 (E_RNA)
where:
Base-Base interactions energy: -1875.550
where: short stacking energy: -822.337
Base-Backbone interact. energy: -1.303
local terms energy: -839.480264
where:
bonds (distance) C4'-P energy: -143.628
bonds (distance) P-C4' energy: -160.108
flat angles C4'-P-C4' energy: -173.034
flat angles P-C4'-P energy: -109.620
tors. eta vs tors. theta energy: -253.091
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: 4, replica: 2
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -2556.339741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.339741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.308287 (E_RNA)
where:
Base-Base interactions energy: -1746.972
where: short stacking energy: -750.130
Base-Backbone interact. energy: -1.534
local terms energy: -811.802527
where:
bonds (distance) C4'-P energy: -161.438
bonds (distance) P-C4' energy: -144.773
flat angles C4'-P-C4' energy: -167.077
flat angles P-C4'-P energy: -117.560
tors. eta vs tors. theta energy: -220.955
Dist. restrs. and SS energy: 3.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -2347.571898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.571898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.742262 (E_RNA)
where:
Base-Base interactions energy: -1611.544
where: short stacking energy: -660.565
Base-Backbone interact. energy: 1.143
local terms energy: -739.342205
where:
bonds (distance) C4'-P energy: -151.293
bonds (distance) P-C4' energy: -137.595
flat angles C4'-P-C4' energy: -161.957
flat angles P-C4'-P energy: -93.571
tors. eta vs tors. theta energy: -194.926
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: 6, replica: 4
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -2292.190949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.190949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.056385 (E_RNA)
where:
Base-Base interactions energy: -1553.028
where: short stacking energy: -663.719
Base-Backbone interact. energy: 4.344
local terms energy: -745.372564
where:
bonds (distance) C4'-P energy: -131.957
bonds (distance) P-C4' energy: -145.258
flat angles C4'-P-C4' energy: -171.177
flat angles P-C4'-P energy: -105.909
tors. eta vs tors. theta energy: -191.072
Dist. restrs. and SS energy: 1.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -2220.908245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.908245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.003089 (E_RNA)
where:
Base-Base interactions energy: -1549.727
where: short stacking energy: -650.474
Base-Backbone interact. energy: -1.092
local terms energy: -672.183852
where:
bonds (distance) C4'-P energy: -134.471
bonds (distance) P-C4' energy: -135.199
flat angles C4'-P-C4' energy: -141.479
flat angles P-C4'-P energy: -88.106
tors. eta vs tors. theta energy: -172.927
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: 8, replica: 3
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -2012.606722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.606722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.425812 (E_RNA)
where:
Base-Base interactions energy: -1342.619
where: short stacking energy: -553.346
Base-Backbone interact. energy: -4.341
local terms energy: -669.465818
where:
bonds (distance) C4'-P energy: -135.354
bonds (distance) P-C4' energy: -139.357
flat angles C4'-P-C4' energy: -138.376
flat angles P-C4'-P energy: -104.016
tors. eta vs tors. theta energy: -152.363
Dist. restrs. and SS energy: 3.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -1937.756123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.756123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.440790 (E_RNA)
where:
Base-Base interactions energy: -1299.948
where: short stacking energy: -553.911
Base-Backbone interact. energy: 3.775
local terms energy: -643.267953
where:
bonds (distance) C4'-P energy: -124.754
bonds (distance) P-C4' energy: -148.458
flat angles C4'-P-C4' energy: -141.395
flat angles P-C4'-P energy: -86.229
tors. eta vs tors. theta energy: -142.432
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: 10, replica: 5
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -1822.731455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.731455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.955315 (E_RNA)
where:
Base-Base interactions energy: -1240.264
where: short stacking energy: -516.787
Base-Backbone interact. energy: -3.216
local terms energy: -581.475888
where:
bonds (distance) C4'-P energy: -123.150
bonds (distance) P-C4' energy: -120.872
flat angles C4'-P-C4' energy: -133.639
flat angles P-C4'-P energy: -82.663
tors. eta vs tors. theta energy: -121.150
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: 1, replica: 10
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -2864.545982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2864.545982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2867.151096 (E_RNA)
where:
Base-Base interactions energy: -1991.722
where: short stacking energy: -839.500
Base-Backbone interact. energy: -1.390
local terms energy: -874.038372
where:
bonds (distance) C4'-P energy: -163.485
bonds (distance) P-C4' energy: -148.649
flat angles C4'-P-C4' energy: -192.808
flat angles P-C4'-P energy: -126.294
tors. eta vs tors. theta energy: -242.801
Dist. restrs. and SS energy: 2.605 (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: 9
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -2795.410295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.410295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.260370 (E_RNA)
where:
Base-Base interactions energy: -1935.636
where: short stacking energy: -831.187
Base-Backbone interact. energy: -2.156
local terms energy: -859.469106
where:
bonds (distance) C4'-P energy: -147.930
bonds (distance) P-C4' energy: -160.566
flat angles C4'-P-C4' energy: -174.718
flat angles P-C4'-P energy: -132.400
tors. eta vs tors. theta energy: -243.856
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: 7
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -2673.615854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.615854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.737443 (E_RNA)
where:
Base-Base interactions energy: -1861.863
where: short stacking energy: -812.154
Base-Backbone interact. energy: -2.790
local terms energy: -810.085137
where:
bonds (distance) C4'-P energy: -140.579
bonds (distance) P-C4' energy: -146.804
flat angles C4'-P-C4' energy: -173.765
flat angles P-C4'-P energy: -111.356
tors. eta vs tors. theta energy: -237.581
Dist. restrs. and SS energy: 1.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -2542.558775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.558775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.801954 (E_RNA)
where:
Base-Base interactions energy: -1730.722
where: short stacking energy: -736.697
Base-Backbone interact. energy: -0.159
local terms energy: -813.920807
where:
bonds (distance) C4'-P energy: -142.206
bonds (distance) P-C4' energy: -153.315
flat angles C4'-P-C4' energy: -187.773
flat angles P-C4'-P energy: -128.258
tors. eta vs tors. theta energy: -202.370
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: 5, replica: 1
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -2357.240352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.240352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.483336 (E_RNA)
where:
Base-Base interactions energy: -1595.573
where: short stacking energy: -706.291
Base-Backbone interact. energy: 0.782
local terms energy: -763.692592
where:
bonds (distance) C4'-P energy: -143.714
bonds (distance) P-C4' energy: -157.067
flat angles C4'-P-C4' energy: -177.633
flat angles P-C4'-P energy: -96.153
tors. eta vs tors. theta energy: -189.126
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: 6, replica: 4
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -2303.406452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.406452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.704199 (E_RNA)
where:
Base-Base interactions energy: -1588.480
where: short stacking energy: -679.732
Base-Backbone interact. energy: -0.352
local terms energy: -716.872741
where:
bonds (distance) C4'-P energy: -141.770
bonds (distance) P-C4' energy: -143.198
flat angles C4'-P-C4' energy: -149.807
flat angles P-C4'-P energy: -96.048
tors. eta vs tors. theta energy: -186.050
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: 6
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -2185.069280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.069280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.452386 (E_RNA)
where:
Base-Base interactions energy: -1491.118
where: short stacking energy: -613.244
Base-Backbone interact. energy: -2.417
local terms energy: -692.917584
where:
bonds (distance) C4'-P energy: -131.043
bonds (distance) P-C4' energy: -132.670
flat angles C4'-P-C4' energy: -157.760
flat angles P-C4'-P energy: -99.571
tors. eta vs tors. theta energy: -171.874
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: 8, replica: 8
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -2006.138145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.138145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.267599 (E_RNA)
where:
Base-Base interactions energy: -1339.050
where: short stacking energy: -570.578
Base-Backbone interact. energy: 5.910
local terms energy: -681.127630
where:
bonds (distance) C4'-P energy: -136.782
bonds (distance) P-C4' energy: -157.026
flat angles C4'-P-C4' energy: -147.496
flat angles P-C4'-P energy: -102.393
tors. eta vs tors. theta energy: -137.430
Dist. restrs. and SS energy: 8.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -1981.665172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.665172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.923547 (E_RNA)
where:
Base-Base interactions energy: -1345.763
where: short stacking energy: -602.923
Base-Backbone interact. energy: 2.441
local terms energy: -645.601247
where:
bonds (distance) C4'-P energy: -130.126
bonds (distance) P-C4' energy: -127.447
flat angles C4'-P-C4' energy: -123.878
flat angles P-C4'-P energy: -89.684
tors. eta vs tors. theta energy: -174.466
Dist. restrs. and SS energy: 7.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -1822.755817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.755817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.419218 (E_RNA)
where:
Base-Base interactions energy: -1249.236
where: short stacking energy: -534.509
Base-Backbone interact. energy: 0.027
local terms energy: -576.210330
where:
bonds (distance) C4'-P energy: -111.581
bonds (distance) P-C4' energy: -124.147
flat angles C4'-P-C4' energy: -145.253
flat angles P-C4'-P energy: -79.590
tors. eta vs tors. theta energy: -115.639
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: 1, replica: 10
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -2880.778196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2880.778196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2884.218819 (E_RNA)
where:
Base-Base interactions energy: -2011.045
where: short stacking energy: -828.657
Base-Backbone interact. energy: -1.429
local terms energy: -871.744818
where:
bonds (distance) C4'-P energy: -164.078
bonds (distance) P-C4' energy: -161.377
flat angles C4'-P-C4' energy: -181.622
flat angles P-C4'-P energy: -118.263
tors. eta vs tors. theta energy: -246.405
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: 2, replica: 9
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -2811.905534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.905534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.408043 (E_RNA)
where:
Base-Base interactions energy: -1942.554
where: short stacking energy: -809.194
Base-Backbone interact. energy: -1.425
local terms energy: -869.428924
where:
bonds (distance) C4'-P energy: -158.217
bonds (distance) P-C4' energy: -156.517
flat angles C4'-P-C4' energy: -196.129
flat angles P-C4'-P energy: -118.851
tors. eta vs tors. theta energy: -239.716
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: 3, replica: 7
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -2681.933011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.933011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.319112 (E_RNA)
where:
Base-Base interactions energy: -1851.513
where: short stacking energy: -805.526
Base-Backbone interact. energy: 3.420
local terms energy: -835.226154
where:
bonds (distance) C4'-P energy: -132.259
bonds (distance) P-C4' energy: -161.220
flat angles C4'-P-C4' energy: -185.968
flat angles P-C4'-P energy: -115.574
tors. eta vs tors. theta energy: -240.205
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: 4, replica: 2
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -2546.762156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.762156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.145420 (E_RNA)
where:
Base-Base interactions energy: -1748.843
where: short stacking energy: -767.742
Base-Backbone interact. energy: 0.357
local terms energy: -802.658649
where:
bonds (distance) C4'-P energy: -132.631
bonds (distance) P-C4' energy: -155.255
flat angles C4'-P-C4' energy: -176.233
flat angles P-C4'-P energy: -117.614
tors. eta vs tors. theta energy: -220.925
Dist. restrs. and SS energy: 4.383 (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: 4
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -2404.255093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.255093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.058291 (E_RNA)
where:
Base-Base interactions energy: -1651.959
where: short stacking energy: -724.061
Base-Backbone interact. energy: -0.776
local terms energy: -753.323348
where:
bonds (distance) C4'-P energy: -141.860
bonds (distance) P-C4' energy: -147.780
flat angles C4'-P-C4' energy: -153.548
flat angles P-C4'-P energy: -97.872
tors. eta vs tors. theta energy: -212.265
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: 6, replica: 1
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -2272.362364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.362364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.840724 (E_RNA)
where:
Base-Base interactions energy: -1563.926
where: short stacking energy: -662.709
Base-Backbone interact. energy: -2.441
local terms energy: -708.473614
where:
bonds (distance) C4'-P energy: -124.543
bonds (distance) P-C4' energy: -127.393
flat angles C4'-P-C4' energy: -160.903
flat angles P-C4'-P energy: -113.154
tors. eta vs tors. theta energy: -182.481
Dist. restrs. and SS energy: 2.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -2236.586955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.586955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.142103 (E_RNA)
where:
Base-Base interactions energy: -1511.068
where: short stacking energy: -650.688
Base-Backbone interact. energy: -1.210
local terms energy: -727.863993
where:
bonds (distance) C4'-P energy: -141.336
bonds (distance) P-C4' energy: -140.878
flat angles C4'-P-C4' energy: -162.035
flat angles P-C4'-P energy: -98.977
tors. eta vs tors. theta energy: -184.637
Dist. restrs. and SS energy: 3.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -2001.106385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.106385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.688605 (E_RNA)
where:
Base-Base interactions energy: -1370.033
where: short stacking energy: -591.787
Base-Backbone interact. energy: -3.761
local terms energy: -630.894382
where:
bonds (distance) C4'-P energy: -116.994
bonds (distance) P-C4' energy: -131.220
flat angles C4'-P-C4' energy: -135.114
flat angles P-C4'-P energy: -94.600
tors. eta vs tors. theta energy: -152.966
Dist. restrs. and SS energy: 3.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -1976.256117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.256117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.309782 (E_RNA)
where:
Base-Base interactions energy: -1308.763
where: short stacking energy: -551.638
Base-Backbone interact. energy: -2.665
local terms energy: -667.881479
where:
bonds (distance) C4'-P energy: -137.364
bonds (distance) P-C4' energy: -148.125
flat angles C4'-P-C4' energy: -139.343
flat angles P-C4'-P energy: -100.944
tors. eta vs tors. theta energy: -142.105
Dist. restrs. and SS energy: 3.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -1811.310283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.310283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.942906 (E_RNA)
where:
Base-Base interactions energy: -1235.482
where: short stacking energy: -519.027
Base-Backbone interact. energy: -1.781
local terms energy: -577.680375
where:
bonds (distance) C4'-P energy: -112.668
bonds (distance) P-C4' energy: -146.444
flat angles C4'-P-C4' energy: -136.795
flat angles P-C4'-P energy: -60.222
tors. eta vs tors. theta energy: -121.551
Dist. restrs. and SS energy: 3.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -2824.566578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.566578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.331725 (E_RNA)
where:
Base-Base interactions energy: -1923.884
where: short stacking energy: -814.050
Base-Backbone interact. energy: -4.569
local terms energy: -898.879084
where:
bonds (distance) C4'-P energy: -175.172
bonds (distance) P-C4' energy: -163.403
flat angles C4'-P-C4' energy: -192.526
flat angles P-C4'-P energy: -123.450
tors. eta vs tors. theta energy: -244.328
Dist. restrs. and SS energy: 2.765 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -2828.841636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2828.841636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.284177 (E_RNA)
where:
Base-Base interactions energy: -1964.251
where: short stacking energy: -844.794
Base-Backbone interact. energy: -1.658
local terms energy: -864.375388
where:
bonds (distance) C4'-P energy: -157.751
bonds (distance) P-C4' energy: -153.000
flat angles C4'-P-C4' energy: -182.764
flat angles P-C4'-P energy: -123.394
tors. eta vs tors. theta energy: -247.465
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: 3, replica: 7
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -2680.333652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.333652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.848244 (E_RNA)
where:
Base-Base interactions energy: -1864.795
where: short stacking energy: -798.863
Base-Backbone interact. energy: -2.552
local terms energy: -815.501002
where:
bonds (distance) C4'-P energy: -139.998
bonds (distance) P-C4' energy: -147.276
flat angles C4'-P-C4' energy: -187.899
flat angles P-C4'-P energy: -120.923
tors. eta vs tors. theta energy: -219.405
Dist. restrs. and SS energy: 2.515 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -2524.753187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.753187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.044783 (E_RNA)
where:
Base-Base interactions energy: -1756.379
where: short stacking energy: -750.155
Base-Backbone interact. energy: 0.586
local terms energy: -770.252651
where:
bonds (distance) C4'-P energy: -149.384
bonds (distance) P-C4' energy: -128.491
flat angles C4'-P-C4' energy: -160.315
flat angles P-C4'-P energy: -116.413
tors. eta vs tors. theta energy: -215.649
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: 4
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -2324.629809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.629809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.916428 (E_RNA)
where:
Base-Base interactions energy: -1576.875
where: short stacking energy: -670.322
Base-Backbone interact. energy: 1.264
local terms energy: -751.306136
where:
bonds (distance) C4'-P energy: -147.091
bonds (distance) P-C4' energy: -143.978
flat angles C4'-P-C4' energy: -164.740
flat angles P-C4'-P energy: -120.520
tors. eta vs tors. theta energy: -174.978
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: 6, replica: 6
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -2319.441763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.441763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.019839 (E_RNA)
where:
Base-Base interactions energy: -1605.601
where: short stacking energy: -694.076
Base-Backbone interact. energy: 1.191
local terms energy: -717.609934
where:
bonds (distance) C4'-P energy: -122.291
bonds (distance) P-C4' energy: -133.605
flat angles C4'-P-C4' energy: -160.876
flat angles P-C4'-P energy: -105.777
tors. eta vs tors. theta energy: -195.060
Dist. restrs. and SS energy: 2.578 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -2169.303756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.303756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.812540 (E_RNA)
where:
Base-Base interactions energy: -1487.907
where: short stacking energy: -609.615
Base-Backbone interact. energy: 5.893
local terms energy: -688.798025
where:
bonds (distance) C4'-P energy: -138.849
bonds (distance) P-C4' energy: -136.346
flat angles C4'-P-C4' energy: -154.818
flat angles P-C4'-P energy: -102.472
tors. eta vs tors. theta energy: -156.313
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: 8, replica: 8
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -1998.312823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.312823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.258545 (E_RNA)
where:
Base-Base interactions energy: -1376.995
where: short stacking energy: -577.804
Base-Backbone interact. energy: -2.011
local terms energy: -621.252448
where:
bonds (distance) C4'-P energy: -114.943
bonds (distance) P-C4' energy: -133.903
flat angles C4'-P-C4' energy: -144.700
flat angles P-C4'-P energy: -83.269
tors. eta vs tors. theta energy: -144.437
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: 3
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -1974.369186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.369186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.395076 (E_RNA)
where:
Base-Base interactions energy: -1320.260
where: short stacking energy: -567.838
Base-Backbone interact. energy: -1.791
local terms energy: -655.344299
where:
bonds (distance) C4'-P energy: -152.035
bonds (distance) P-C4' energy: -124.475
flat angles C4'-P-C4' energy: -142.567
flat angles P-C4'-P energy: -94.000
tors. eta vs tors. theta energy: -142.267
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: 10, replica: 5
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -1877.298875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.298875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.945907 (E_RNA)
where:
Base-Base interactions energy: -1243.177
where: short stacking energy: -518.719
Base-Backbone interact. energy: -2.182
local terms energy: -635.586938
where:
bonds (distance) C4'-P energy: -130.741
bonds (distance) P-C4' energy: -144.431
flat angles C4'-P-C4' energy: -145.545
flat angles P-C4'-P energy: -81.012
tors. eta vs tors. theta energy: -133.857
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: 1, replica: 10
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -2837.888948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2837.888948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2840.972369 (E_RNA)
where:
Base-Base interactions energy: -1936.412
where: short stacking energy: -829.134
Base-Backbone interact. energy: -5.753
local terms energy: -898.807037
where:
bonds (distance) C4'-P energy: -171.414
bonds (distance) P-C4' energy: -161.019
flat angles C4'-P-C4' energy: -181.028
flat angles P-C4'-P energy: -134.419
tors. eta vs tors. theta energy: -250.927
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: 2, replica: 9
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -2822.676386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.676386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.314490 (E_RNA)
where:
Base-Base interactions energy: -1963.823
where: short stacking energy: -829.873
Base-Backbone interact. energy: -2.177
local terms energy: -858.314173
where:
bonds (distance) C4'-P energy: -153.468
bonds (distance) P-C4' energy: -164.094
flat angles C4'-P-C4' energy: -182.228
flat angles P-C4'-P energy: -116.963
tors. eta vs tors. theta energy: -241.560
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: 7
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -2683.178211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.178211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.786928 (E_RNA)
where:
Base-Base interactions energy: -1855.497
where: short stacking energy: -776.258
Base-Backbone interact. energy: -0.486
local terms energy: -829.804442
where:
bonds (distance) C4'-P energy: -161.347
bonds (distance) P-C4' energy: -148.725
flat angles C4'-P-C4' energy: -175.037
flat angles P-C4'-P energy: -116.654
tors. eta vs tors. theta energy: -228.041
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: 4, replica: 2
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -2535.194642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.194642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.978044 (E_RNA)
where:
Base-Base interactions energy: -1751.568
where: short stacking energy: -757.304
Base-Backbone interact. energy: -1.939
local terms energy: -784.471178
where:
bonds (distance) C4'-P energy: -142.035
bonds (distance) P-C4' energy: -158.561
flat angles C4'-P-C4' energy: -169.299
flat angles P-C4'-P energy: -102.822
tors. eta vs tors. theta energy: -211.754
Dist. restrs. and SS energy: 2.783 (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: 4
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -2428.471984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.471984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.412300 (E_RNA)
where:
Base-Base interactions energy: -1643.652
where: short stacking energy: -680.280
Base-Backbone interact. energy: -2.996
local terms energy: -784.764015
where:
bonds (distance) C4'-P energy: -162.612
bonds (distance) P-C4' energy: -150.496
flat angles C4'-P-C4' energy: -163.313
flat angles P-C4'-P energy: -101.970
tors. eta vs tors. theta energy: -206.372
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: 6, replica: 6
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -2302.503838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.503838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.805150 (E_RNA)
where:
Base-Base interactions energy: -1571.145
where: short stacking energy: -646.191
Base-Backbone interact. energy: 9.176
local terms energy: -741.835748
where:
bonds (distance) C4'-P energy: -143.237
bonds (distance) P-C4' energy: -146.513
flat angles C4'-P-C4' energy: -159.294
flat angles P-C4'-P energy: -109.280
tors. eta vs tors. theta energy: -183.512
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: 7, replica: 1
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -2165.680684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.680684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.106344 (E_RNA)
where:
Base-Base interactions energy: -1499.735
where: short stacking energy: -638.867
Base-Backbone interact. energy: 5.962
local terms energy: -673.333963
where:
bonds (distance) C4'-P energy: -118.232
bonds (distance) P-C4' energy: -132.432
flat angles C4'-P-C4' energy: -154.765
flat angles P-C4'-P energy: -86.332
tors. eta vs tors. theta energy: -181.574
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: 8, replica: 8
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -2027.674409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.674409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.320895 (E_RNA)
where:
Base-Base interactions energy: -1374.874
where: short stacking energy: -569.761
Base-Backbone interact. energy: 3.148
local terms energy: -658.594745
where:
bonds (distance) C4'-P energy: -154.393
bonds (distance) P-C4' energy: -136.317
flat angles C4'-P-C4' energy: -147.441
flat angles P-C4'-P energy: -91.118
tors. eta vs tors. theta energy: -129.326
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: 9, replica: 3
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -1958.420782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.420782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.852505 (E_RNA)
where:
Base-Base interactions energy: -1313.978
where: short stacking energy: -579.486
Base-Backbone interact. energy: -0.610
local terms energy: -648.264806
where:
bonds (distance) C4'-P energy: -127.783
bonds (distance) P-C4' energy: -126.673
flat angles C4'-P-C4' energy: -152.237
flat angles P-C4'-P energy: -88.530
tors. eta vs tors. theta energy: -153.041
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: 5
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -1788.933632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.933632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.728999 (E_RNA)
where:
Base-Base interactions energy: -1240.698
where: short stacking energy: -495.548
Base-Backbone interact. energy: 5.794
local terms energy: -557.825305
where:
bonds (distance) C4'-P energy: -143.863
bonds (distance) P-C4' energy: -117.045
flat angles C4'-P-C4' energy: -120.475
flat angles P-C4'-P energy: -61.101
tors. eta vs tors. theta energy: -115.341
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: 10
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -2842.279426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2842.279426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2844.381826 (E_RNA)
where:
Base-Base interactions energy: -1929.924
where: short stacking energy: -809.507
Base-Backbone interact. energy: -0.806
local terms energy: -913.651891
where:
bonds (distance) C4'-P energy: -177.462
bonds (distance) P-C4' energy: -171.058
flat angles C4'-P-C4' energy: -189.782
flat angles P-C4'-P energy: -123.159
tors. eta vs tors. theta energy: -252.190
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: 2, replica: 9
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -2821.606837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.606837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.731615 (E_RNA)
where:
Base-Base interactions energy: -1942.424
where: short stacking energy: -848.894
Base-Backbone interact. energy: 1.086
local terms energy: -881.393050
where:
bonds (distance) C4'-P energy: -165.076
bonds (distance) P-C4' energy: -151.666
flat angles C4'-P-C4' energy: -183.637
flat angles P-C4'-P energy: -128.088
tors. eta vs tors. theta energy: -252.927
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: 3, replica: 7
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -2647.893170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.893170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.837975 (E_RNA)
where:
Base-Base interactions energy: -1842.315
where: short stacking energy: -754.173
Base-Backbone interact. energy: -3.662
local terms energy: -803.861198
where:
bonds (distance) C4'-P energy: -141.561
bonds (distance) P-C4' energy: -154.403
flat angles C4'-P-C4' energy: -166.908
flat angles P-C4'-P energy: -119.949
tors. eta vs tors. theta energy: -221.041
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: 2
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -2526.744354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.744354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.660838 (E_RNA)
where:
Base-Base interactions energy: -1742.540
where: short stacking energy: -752.096
Base-Backbone interact. energy: 11.018
local terms energy: -798.139406
where:
bonds (distance) C4'-P energy: -129.679
bonds (distance) P-C4' energy: -169.794
flat angles C4'-P-C4' energy: -158.985
flat angles P-C4'-P energy: -115.975
tors. eta vs tors. theta energy: -223.706
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: 5, replica: 4
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -2460.378722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.378722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.070088 (E_RNA)
where:
Base-Base interactions energy: -1687.967
where: short stacking energy: -732.735
Base-Backbone interact. energy: -0.311
local terms energy: -773.792167
where:
bonds (distance) C4'-P energy: -132.361
bonds (distance) P-C4' energy: -142.909
flat angles C4'-P-C4' energy: -176.734
flat angles P-C4'-P energy: -107.174
tors. eta vs tors. theta energy: -214.615
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: 6, replica: 6
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -2267.642245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.642245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.711156 (E_RNA)
where:
Base-Base interactions energy: -1532.277
where: short stacking energy: -644.705
Base-Backbone interact. energy: -1.773
local terms energy: -735.660794
where:
bonds (distance) C4'-P energy: -136.288
bonds (distance) P-C4' energy: -150.675
flat angles C4'-P-C4' energy: -171.507
flat angles P-C4'-P energy: -100.037
tors. eta vs tors. theta energy: -177.153
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: 7, replica: 1
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -2119.810395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.810395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.950396 (E_RNA)
where:
Base-Base interactions energy: -1448.828
where: short stacking energy: -594.450
Base-Backbone interact. energy: 0.960
local terms energy: -675.082154
where:
bonds (distance) C4'-P energy: -138.145
bonds (distance) P-C4' energy: -143.327
flat angles C4'-P-C4' energy: -133.017
flat angles P-C4'-P energy: -97.508
tors. eta vs tors. theta energy: -163.084
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: 8
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -1971.080216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.080216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.959863 (E_RNA)
where:
Base-Base interactions energy: -1317.850
where: short stacking energy: -573.579
Base-Backbone interact. energy: 0.291
local terms energy: -656.400948
where:
bonds (distance) C4'-P energy: -123.199
bonds (distance) P-C4' energy: -159.115
flat angles C4'-P-C4' energy: -150.756
flat angles P-C4'-P energy: -87.925
tors. eta vs tors. theta energy: -135.408
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: 9, replica: 3
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -1939.289889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.289889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.122183 (E_RNA)
where:
Base-Base interactions energy: -1290.209
where: short stacking energy: -534.138
Base-Backbone interact. energy: -1.992
local terms energy: -649.921413
where:
bonds (distance) C4'-P energy: -128.173
bonds (distance) P-C4' energy: -144.835
flat angles C4'-P-C4' energy: -146.273
flat angles P-C4'-P energy: -88.999
tors. eta vs tors. theta energy: -141.642
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: 10, replica: 5
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -1826.963457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.963457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.263435 (E_RNA)
where:
Base-Base interactions energy: -1251.828
where: short stacking energy: -508.172
Base-Backbone interact. energy: 0.238
local terms energy: -581.673610
where:
bonds (distance) C4'-P energy: -102.916
bonds (distance) P-C4' energy: -127.707
flat angles C4'-P-C4' energy: -145.517
flat angles P-C4'-P energy: -83.564
tors. eta vs tors. theta energy: -121.969
Dist. restrs. and SS energy: 6.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -2827.241605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.241605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.524765 (E_RNA)
where:
Base-Base interactions energy: -1931.147
where: short stacking energy: -826.010
Base-Backbone interact. energy: -2.773
local terms energy: -895.604761
where:
bonds (distance) C4'-P energy: -157.067
bonds (distance) P-C4' energy: -161.706
flat angles C4'-P-C4' energy: -194.509
flat angles P-C4'-P energy: -127.227
tors. eta vs tors. theta energy: -255.095
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: 2, replica: 9
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -2806.980596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.980596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.020853 (E_RNA)
where:
Base-Base interactions energy: -1955.397
where: short stacking energy: -827.751
Base-Backbone interact. energy: 5.158
local terms energy: -857.781740
where:
bonds (distance) C4'-P energy: -159.099
bonds (distance) P-C4' energy: -143.795
flat angles C4'-P-C4' energy: -177.380
flat angles P-C4'-P energy: -127.838
tors. eta vs tors. theta energy: -249.671
Dist. restrs. and SS energy: 1.040 (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: 7
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -2721.018156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.018156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.407839 (E_RNA)
where:
Base-Base interactions energy: -1887.587
where: short stacking energy: -773.904
Base-Backbone interact. energy: -2.739
local terms energy: -832.082270
where:
bonds (distance) C4'-P energy: -164.591
bonds (distance) P-C4' energy: -149.845
flat angles C4'-P-C4' energy: -171.902
flat angles P-C4'-P energy: -118.776
tors. eta vs tors. theta energy: -226.969
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: 4, replica: 2
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -2523.030455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.030455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.839219 (E_RNA)
where:
Base-Base interactions energy: -1723.153
where: short stacking energy: -770.647
Base-Backbone interact. energy: 10.618
local terms energy: -813.304862
where:
bonds (distance) C4'-P energy: -138.605
bonds (distance) P-C4' energy: -169.064
flat angles C4'-P-C4' energy: -158.194
flat angles P-C4'-P energy: -108.871
tors. eta vs tors. theta energy: -238.571
Dist. restrs. and SS energy: 2.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -2353.490296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.490296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.275833 (E_RNA)
where:
Base-Base interactions energy: -1609.554
where: short stacking energy: -685.117
Base-Backbone interact. energy: 1.904
local terms energy: -748.626208
where:
bonds (distance) C4'-P energy: -141.379
bonds (distance) P-C4' energy: -123.769
flat angles C4'-P-C4' energy: -175.139
flat angles P-C4'-P energy: -113.395
tors. eta vs tors. theta energy: -194.945
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: 6, replica: 6
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -2273.756339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.756339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.433826 (E_RNA)
where:
Base-Base interactions energy: -1542.236
where: short stacking energy: -670.612
Base-Backbone interact. energy: -0.855
local terms energy: -733.342117
where:
bonds (distance) C4'-P energy: -118.547
bonds (distance) P-C4' energy: -151.190
flat angles C4'-P-C4' energy: -169.715
flat angles P-C4'-P energy: -104.443
tors. eta vs tors. theta energy: -189.447
Dist. restrs. and SS energy: 2.677 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -2187.454876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.454876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.523649 (E_RNA)
where:
Base-Base interactions energy: -1541.372
where: short stacking energy: -664.689
Base-Backbone interact. energy: 2.539
local terms energy: -652.690574
where:
bonds (distance) C4'-P energy: -103.470
bonds (distance) P-C4' energy: -131.464
flat angles C4'-P-C4' energy: -131.668
flat angles P-C4'-P energy: -114.448
tors. eta vs tors. theta energy: -171.640
Dist. restrs. and SS energy: 4.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -1972.375785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.375785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.341589 (E_RNA)
where:
Base-Base interactions energy: -1343.722
where: short stacking energy: -570.191
Base-Backbone interact. energy: -3.072
local terms energy: -627.546842
where:
bonds (distance) C4'-P energy: -124.116
bonds (distance) P-C4' energy: -100.968
flat angles C4'-P-C4' energy: -157.241
flat angles P-C4'-P energy: -98.105
tors. eta vs tors. theta energy: -147.118
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: 9, replica: 5
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -1903.742435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.742435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.146167 (E_RNA)
where:
Base-Base interactions energy: -1274.153
where: short stacking energy: -521.990
Base-Backbone interact. energy: -1.639
local terms energy: -630.354003
where:
bonds (distance) C4'-P energy: -132.680
bonds (distance) P-C4' energy: -126.797
flat angles C4'-P-C4' energy: -141.161
flat angles P-C4'-P energy: -97.150
tors. eta vs tors. theta energy: -132.565
Dist. restrs. and SS energy: 2.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -1871.048529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.048529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.201589 (E_RNA)
where:
Base-Base interactions energy: -1275.356
where: short stacking energy: -532.992
Base-Backbone interact. energy: -1.762
local terms energy: -596.084086
where:
bonds (distance) C4'-P energy: -112.395
bonds (distance) P-C4' energy: -128.621
flat angles C4'-P-C4' energy: -115.548
flat angles P-C4'-P energy: -98.640
tors. eta vs tors. theta energy: -140.881
Dist. restrs. and SS energy: 2.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -2841.390143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2841.390143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.695582 (E_RNA)
where:
Base-Base interactions energy: -1955.236
where: short stacking energy: -821.502
Base-Backbone interact. energy: -0.780
local terms energy: -887.679171
where:
bonds (distance) C4'-P energy: -174.761
bonds (distance) P-C4' energy: -162.897
flat angles C4'-P-C4' energy: -193.704
flat angles P-C4'-P energy: -119.588
tors. eta vs tors. theta energy: -236.730
Dist. restrs. and SS energy: 2.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -2796.724882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.724882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.466565 (E_RNA)
where:
Base-Base interactions energy: -1924.476
where: short stacking energy: -822.688
Base-Backbone interact. energy: -3.593
local terms energy: -871.396976
where:
bonds (distance) C4'-P energy: -150.166
bonds (distance) P-C4' energy: -155.121
flat angles C4'-P-C4' energy: -179.167
flat angles P-C4'-P energy: -134.661
tors. eta vs tors. theta energy: -252.283
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: 3, replica: 7
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -2719.970212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.970212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.841411 (E_RNA)
where:
Base-Base interactions energy: -1907.410
where: short stacking energy: -787.831
Base-Backbone interact. energy: -2.923
local terms energy: -811.508322
where:
bonds (distance) C4'-P energy: -146.994
bonds (distance) P-C4' energy: -145.531
flat angles C4'-P-C4' energy: -179.212
flat angles P-C4'-P energy: -110.520
tors. eta vs tors. theta energy: -229.252
Dist. restrs. and SS energy: 1.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -2519.935948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.935948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.167739 (E_RNA)
where:
Base-Base interactions energy: -1744.115
where: short stacking energy: -726.672
Base-Backbone interact. energy: -4.658
local terms energy: -773.395245
where:
bonds (distance) C4'-P energy: -139.739
bonds (distance) P-C4' energy: -140.044
flat angles C4'-P-C4' energy: -168.023
flat angles P-C4'-P energy: -108.733
tors. eta vs tors. theta energy: -216.857
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: 4
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -2397.316975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.316975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.014725 (E_RNA)
where:
Base-Base interactions energy: -1625.965
where: short stacking energy: -689.300
Base-Backbone interact. energy: -2.235
local terms energy: -770.814744
where:
bonds (distance) C4'-P energy: -162.107
bonds (distance) P-C4' energy: -151.328
flat angles C4'-P-C4' energy: -162.140
flat angles P-C4'-P energy: -104.843
tors. eta vs tors. theta energy: -190.397
Dist. restrs. and SS energy: 1.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -2241.297040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.297040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.417802 (E_RNA)
where:
Base-Base interactions energy: -1518.062
where: short stacking energy: -636.824
Base-Backbone interact. energy: 1.030
local terms energy: -726.386107
where:
bonds (distance) C4'-P energy: -139.889
bonds (distance) P-C4' energy: -163.198
flat angles C4'-P-C4' energy: -147.409
flat angles P-C4'-P energy: -98.524
tors. eta vs tors. theta energy: -177.366
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: 6
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -2197.483884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.483884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.975987 (E_RNA)
where:
Base-Base interactions energy: -1482.348
where: short stacking energy: -635.195
Base-Backbone interact. energy: 1.287
local terms energy: -717.914777
where:
bonds (distance) C4'-P energy: -144.241
bonds (distance) P-C4' energy: -150.229
flat angles C4'-P-C4' energy: -141.745
flat angles P-C4'-P energy: -98.135
tors. eta vs tors. theta energy: -183.564
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: 8, replica: 8
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -1976.982667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.982667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.077665 (E_RNA)
where:
Base-Base interactions energy: -1351.409
where: short stacking energy: -549.931
Base-Backbone interact. energy: -1.170
local terms energy: -626.498354
where:
bonds (distance) C4'-P energy: -125.241
bonds (distance) P-C4' energy: -122.201
flat angles C4'-P-C4' energy: -149.564
flat angles P-C4'-P energy: -97.060
tors. eta vs tors. theta energy: -132.432
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: 9, replica: 5
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -1916.235493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.235493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.715406 (E_RNA)
where:
Base-Base interactions energy: -1325.551
where: short stacking energy: -548.518
Base-Backbone interact. energy: -0.516
local terms energy: -591.648854
where:
bonds (distance) C4'-P energy: -108.448
bonds (distance) P-C4' energy: -133.012
flat angles C4'-P-C4' energy: -134.517
flat angles P-C4'-P energy: -81.957
tors. eta vs tors. theta energy: -133.715
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: 10, replica: 3
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -1879.326048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.326048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.875458 (E_RNA)
where:
Base-Base interactions energy: -1300.616
where: short stacking energy: -552.596
Base-Backbone interact. energy: 3.768
local terms energy: -586.028001
where:
bonds (distance) C4'-P energy: -106.785
bonds (distance) P-C4' energy: -138.677
flat angles C4'-P-C4' energy: -125.550
flat angles P-C4'-P energy: -84.058
tors. eta vs tors. theta energy: -130.958
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: 1, replica: 10
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -2864.438745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2864.438745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2867.009641 (E_RNA)
where:
Base-Base interactions energy: -1964.633
where: short stacking energy: -829.302
Base-Backbone interact. energy: -1.756
local terms energy: -900.620363
where:
bonds (distance) C4'-P energy: -157.885
bonds (distance) P-C4' energy: -176.872
flat angles C4'-P-C4' energy: -191.123
flat angles P-C4'-P energy: -131.099
tors. eta vs tors. theta energy: -243.641
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: 9
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -2767.165433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.165433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.112541 (E_RNA)
where:
Base-Base interactions energy: -1889.561
where: short stacking energy: -823.561
Base-Backbone interact. energy: -2.994
local terms energy: -876.557362
where:
bonds (distance) C4'-P energy: -163.869
bonds (distance) P-C4' energy: -153.154
flat angles C4'-P-C4' energy: -193.788
flat angles P-C4'-P energy: -121.579
tors. eta vs tors. theta energy: -244.167
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: 268
Temperature: 1.000000
Total energy: -2683.710406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.710406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.269451 (E_RNA)
where:
Base-Base interactions energy: -1875.001
where: short stacking energy: -779.729
Base-Backbone interact. energy: -1.084
local terms energy: -809.183791
where:
bonds (distance) C4'-P energy: -151.085
bonds (distance) P-C4' energy: -148.478
flat angles C4'-P-C4' energy: -170.394
flat angles P-C4'-P energy: -115.653
tors. eta vs tors. theta energy: -223.574
Dist. restrs. and SS energy: 1.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -2533.845412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.845412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.812713 (E_RNA)
where:
Base-Base interactions energy: -1732.647
where: short stacking energy: -749.792
Base-Backbone interact. energy: -2.040
local terms energy: -802.125870
where:
bonds (distance) C4'-P energy: -141.903
bonds (distance) P-C4' energy: -156.432
flat angles C4'-P-C4' energy: -169.763
flat angles P-C4'-P energy: -115.346
tors. eta vs tors. theta energy: -218.680
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: 5, replica: 4
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -2405.153385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.153385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.002767 (E_RNA)
where:
Base-Base interactions energy: -1628.836
where: short stacking energy: -686.522
Base-Backbone interact. energy: -3.276
local terms energy: -774.890504
where:
bonds (distance) C4'-P energy: -149.840
bonds (distance) P-C4' energy: -148.918
flat angles C4'-P-C4' energy: -163.275
flat angles P-C4'-P energy: -112.833
tors. eta vs tors. theta energy: -200.025
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: 1
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -2239.735286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.735286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.395640 (E_RNA)
where:
Base-Base interactions energy: -1517.199
where: short stacking energy: -640.579
Base-Backbone interact. energy: 2.589
local terms energy: -727.785189
where:
bonds (distance) C4'-P energy: -144.044
bonds (distance) P-C4' energy: -150.099
flat angles C4'-P-C4' energy: -155.416
flat angles P-C4'-P energy: -105.141
tors. eta vs tors. theta energy: -173.085
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: 7, replica: 6
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -2152.068039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.068039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.610005 (E_RNA)
where:
Base-Base interactions energy: -1483.588
where: short stacking energy: -620.930
Base-Backbone interact. energy: -3.873
local terms energy: -667.148889
where:
bonds (distance) C4'-P energy: -122.558
bonds (distance) P-C4' energy: -132.268
flat angles C4'-P-C4' energy: -159.013
flat angles P-C4'-P energy: -96.964
tors. eta vs tors. theta energy: -156.347
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: 8, replica: 8
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -1976.402305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.402305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.993446 (E_RNA)
where:
Base-Base interactions energy: -1342.100
where: short stacking energy: -575.821
Base-Backbone interact. energy: -0.341
local terms energy: -635.552578
where:
bonds (distance) C4'-P energy: -120.641
bonds (distance) P-C4' energy: -138.431
flat angles C4'-P-C4' energy: -147.775
flat angles P-C4'-P energy: -94.350
tors. eta vs tors. theta energy: -134.356
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: 9, replica: 5
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -1938.503864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.503864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.540749 (E_RNA)
where:
Base-Base interactions energy: -1330.439
where: short stacking energy: -541.897
Base-Backbone interact. energy: -0.585
local terms energy: -609.517567
where:
bonds (distance) C4'-P energy: -110.014
bonds (distance) P-C4' energy: -131.246
flat angles C4'-P-C4' energy: -136.357
flat angles P-C4'-P energy: -80.400
tors. eta vs tors. theta energy: -151.501
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: 10, replica: 3
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -1843.108053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.108053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.384749 (E_RNA)
where:
Base-Base interactions energy: -1260.997
where: short stacking energy: -528.489
Base-Backbone interact. energy: -3.932
local terms energy: -582.455405
where:
bonds (distance) C4'-P energy: -111.844
bonds (distance) P-C4' energy: -137.797
flat angles C4'-P-C4' energy: -129.990
flat angles P-C4'-P energy: -80.643
tors. eta vs tors. theta energy: -122.182
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: 1, replica: 10
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -2854.505533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2854.505533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2856.365523 (E_RNA)
where:
Base-Base interactions energy: -1996.206
where: short stacking energy: -830.037
Base-Backbone interact. energy: -3.684
local terms energy: -856.475538
where:
bonds (distance) C4'-P energy: -158.662
bonds (distance) P-C4' energy: -155.273
flat angles C4'-P-C4' energy: -182.300
flat angles P-C4'-P energy: -116.771
tors. eta vs tors. theta energy: -243.470
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: 2, replica: 9
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -2768.666209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.666209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.210169 (E_RNA)
where:
Base-Base interactions energy: -1919.986
where: short stacking energy: -804.584
Base-Backbone interact. energy: -1.822
local terms energy: -848.402245
where:
bonds (distance) C4'-P energy: -146.446
bonds (distance) P-C4' energy: -161.425
flat angles C4'-P-C4' energy: -178.602
flat angles P-C4'-P energy: -121.566
tors. eta vs tors. theta energy: -240.363
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: 269
Temperature: 1.000000
Total energy: -2658.871782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.871782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.550808 (E_RNA)
where:
Base-Base interactions energy: -1848.981
where: short stacking energy: -787.559
Base-Backbone interact. energy: -0.181
local terms energy: -811.388275
where:
bonds (distance) C4'-P energy: -144.110
bonds (distance) P-C4' energy: -159.919
flat angles C4'-P-C4' energy: -166.796
flat angles P-C4'-P energy: -115.225
tors. eta vs tors. theta energy: -225.338
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: 4, replica: 2
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -2501.884181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.884181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.570890 (E_RNA)
where:
Base-Base interactions energy: -1723.564
where: short stacking energy: -743.194
Base-Backbone interact. energy: -2.610
local terms energy: -778.396748
where:
bonds (distance) C4'-P energy: -126.264
bonds (distance) P-C4' energy: -139.085
flat angles C4'-P-C4' energy: -176.539
flat angles P-C4'-P energy: -124.236
tors. eta vs tors. theta energy: -212.273
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: 5, replica: 4
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -2420.757749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.757749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.037597 (E_RNA)
where:
Base-Base interactions energy: -1660.314
where: short stacking energy: -714.100
Base-Backbone interact. energy: 0.041
local terms energy: -762.765387
where:
bonds (distance) C4'-P energy: -128.415
bonds (distance) P-C4' energy: -156.846
flat angles C4'-P-C4' energy: -163.879
flat angles P-C4'-P energy: -114.945
tors. eta vs tors. theta energy: -198.681
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: 1
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -2270.677900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.677900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.042526 (E_RNA)
where:
Base-Base interactions energy: -1550.080
where: short stacking energy: -683.528
Base-Backbone interact. energy: 4.020
local terms energy: -726.983463
where:
bonds (distance) C4'-P energy: -135.989
bonds (distance) P-C4' energy: -129.547
flat angles C4'-P-C4' energy: -165.186
flat angles P-C4'-P energy: -104.824
tors. eta vs tors. theta energy: -191.438
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: 6
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -2165.376822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.376822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.625995 (E_RNA)
where:
Base-Base interactions energy: -1486.691
where: short stacking energy: -655.265
Base-Backbone interact. energy: 1.300
local terms energy: -682.235085
where:
bonds (distance) C4'-P energy: -113.932
bonds (distance) P-C4' energy: -135.202
flat angles C4'-P-C4' energy: -161.734
flat angles P-C4'-P energy: -90.250
tors. eta vs tors. theta energy: -181.118
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: 8, replica: 5
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -2006.931035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.931035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.167794 (E_RNA)
where:
Base-Base interactions energy: -1355.674
where: short stacking energy: -595.609
Base-Backbone interact. energy: -1.175
local terms energy: -653.318831
where:
bonds (distance) C4'-P energy: -118.806
bonds (distance) P-C4' energy: -131.283
flat angles C4'-P-C4' energy: -151.575
flat angles P-C4'-P energy: -102.530
tors. eta vs tors. theta energy: -149.125
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: 9, replica: 8
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -1927.653706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.653706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.397172 (E_RNA)
where:
Base-Base interactions energy: -1322.598
where: short stacking energy: -565.505
Base-Backbone interact. energy: 2.704
local terms energy: -611.502606
where:
bonds (distance) C4'-P energy: -120.175
bonds (distance) P-C4' energy: -111.738
flat angles C4'-P-C4' energy: -151.056
flat angles P-C4'-P energy: -90.838
tors. eta vs tors. theta energy: -137.695
Dist. restrs. and SS energy: 3.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -1927.218434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.218434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.249268 (E_RNA)
where:
Base-Base interactions energy: -1304.574
where: short stacking energy: -567.248
Base-Backbone interact. energy: 2.945
local terms energy: -628.620549
where:
bonds (distance) C4'-P energy: -121.472
bonds (distance) P-C4' energy: -141.052
flat angles C4'-P-C4' energy: -141.246
flat angles P-C4'-P energy: -84.510
tors. eta vs tors. theta energy: -140.340
Dist. restrs. and SS energy: 3.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -2843.059142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.059142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2845.433966 (E_RNA)
where:
Base-Base interactions energy: -1962.494
where: short stacking energy: -836.560
Base-Backbone interact. energy: -2.928
local terms energy: -880.012304
where:
bonds (distance) C4'-P energy: -150.475
bonds (distance) P-C4' energy: -186.629
flat angles C4'-P-C4' energy: -176.062
flat angles P-C4'-P energy: -120.103
tors. eta vs tors. theta energy: -246.744
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: 2, replica: 9
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -2775.155227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.155227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.864350 (E_RNA)
where:
Base-Base interactions energy: -1926.255
where: short stacking energy: -824.370
Base-Backbone interact. energy: 1.331
local terms energy: -851.941283
where:
bonds (distance) C4'-P energy: -162.027
bonds (distance) P-C4' energy: -154.997
flat angles C4'-P-C4' energy: -177.139
flat angles P-C4'-P energy: -112.621
tors. eta vs tors. theta energy: -245.157
Dist. restrs. and SS energy: 1.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -2694.167888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.167888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.499127 (E_RNA)
where:
Base-Base interactions energy: -1856.331
where: short stacking energy: -794.335
Base-Backbone interact. energy: 0.668
local terms energy: -840.836054
where:
bonds (distance) C4'-P energy: -157.903
bonds (distance) P-C4' energy: -149.125
flat angles C4'-P-C4' energy: -179.371
flat angles P-C4'-P energy: -127.884
tors. eta vs tors. theta energy: -226.553
Dist. restrs. and SS energy: 2.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -2509.681861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.681861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.572726 (E_RNA)
where:
Base-Base interactions energy: -1728.185
where: short stacking energy: -725.886
Base-Backbone interact. energy: 2.124
local terms energy: -785.511746
where:
bonds (distance) C4'-P energy: -133.912
bonds (distance) P-C4' energy: -141.368
flat angles C4'-P-C4' energy: -177.720
flat angles P-C4'-P energy: -114.676
tors. eta vs tors. theta energy: -217.837
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: 5, replica: 4
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -2419.873234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.873234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.723019 (E_RNA)
where:
Base-Base interactions energy: -1662.681
where: short stacking energy: -677.907
Base-Backbone interact. energy: -0.142
local terms energy: -758.899371
where:
bonds (distance) C4'-P energy: -147.070
bonds (distance) P-C4' energy: -137.934
flat angles C4'-P-C4' energy: -166.321
flat angles P-C4'-P energy: -104.762
tors. eta vs tors. theta energy: -202.814
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: 6, replica: 1
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -2256.621209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.621209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.635426 (E_RNA)
where:
Base-Base interactions energy: -1553.842
where: short stacking energy: -640.594
Base-Backbone interact. energy: -0.715
local terms energy: -703.079038
where:
bonds (distance) C4'-P energy: -140.299
bonds (distance) P-C4' energy: -143.834
flat angles C4'-P-C4' energy: -158.276
flat angles P-C4'-P energy: -98.035
tors. eta vs tors. theta energy: -162.635
Dist. restrs. and SS energy: 1.014 (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: 6
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -2155.762888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.762888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.173276 (E_RNA)
where:
Base-Base interactions energy: -1489.679
where: short stacking energy: -614.363
Base-Backbone interact. energy: 1.237
local terms energy: -669.731490
where:
bonds (distance) C4'-P energy: -141.467
bonds (distance) P-C4' energy: -130.136
flat angles C4'-P-C4' energy: -137.305
flat angles P-C4'-P energy: -95.824
tors. eta vs tors. theta energy: -165.000
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: 8, replica: 5
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -2104.831637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.831637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.473496 (E_RNA)
where:
Base-Base interactions energy: -1417.392
where: short stacking energy: -604.820
Base-Backbone interact. energy: 6.436
local terms energy: -695.517402
where:
bonds (distance) C4'-P energy: -134.505
bonds (distance) P-C4' energy: -144.263
flat angles C4'-P-C4' energy: -137.807
flat angles P-C4'-P energy: -113.203
tors. eta vs tors. theta energy: -165.740
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: 9, replica: 3
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -1931.294359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.294359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.299203 (E_RNA)
where:
Base-Base interactions energy: -1290.454
where: short stacking energy: -537.631
Base-Backbone interact. energy: -0.556
local terms energy: -643.289156
where:
bonds (distance) C4'-P energy: -123.914
bonds (distance) P-C4' energy: -143.339
flat angles C4'-P-C4' energy: -141.572
flat angles P-C4'-P energy: -87.524
tors. eta vs tors. theta energy: -146.939
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: 8
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -1838.540322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.540322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.865815 (E_RNA)
where:
Base-Base interactions energy: -1251.271
where: short stacking energy: -525.341
Base-Backbone interact. energy: -0.634
local terms energy: -588.960228
where:
bonds (distance) C4'-P energy: -122.961
bonds (distance) P-C4' energy: -130.310
flat angles C4'-P-C4' energy: -122.449
flat angles P-C4'-P energy: -76.500
tors. eta vs tors. theta energy: -136.740
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: 10
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -2827.110962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.110962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.891710 (E_RNA)
where:
Base-Base interactions energy: -1962.052
where: short stacking energy: -807.902
Base-Backbone interact. energy: -2.516
local terms energy: -863.324047
where:
bonds (distance) C4'-P energy: -174.114
bonds (distance) P-C4' energy: -155.025
flat angles C4'-P-C4' energy: -184.967
flat angles P-C4'-P energy: -127.751
tors. eta vs tors. theta energy: -221.468
Dist. restrs. and SS energy: 0.781 (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: 9
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -2764.710620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.710620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.877027 (E_RNA)
where:
Base-Base interactions energy: -1919.255
where: short stacking energy: -801.459
Base-Backbone interact. energy: -0.479
local terms energy: -846.142828
where:
bonds (distance) C4'-P energy: -152.227
bonds (distance) P-C4' energy: -161.801
flat angles C4'-P-C4' energy: -181.392
flat angles P-C4'-P energy: -113.758
tors. eta vs tors. theta energy: -236.965
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: 3, replica: 7
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -2686.109676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.109676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.118839 (E_RNA)
where:
Base-Base interactions energy: -1833.944
where: short stacking energy: -790.702
Base-Backbone interact. energy: -4.522
local terms energy: -849.652590
where:
bonds (distance) C4'-P energy: -150.303
bonds (distance) P-C4' energy: -153.794
flat angles C4'-P-C4' energy: -187.649
flat angles P-C4'-P energy: -126.392
tors. eta vs tors. theta energy: -231.516
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: 2
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -2516.550917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.550917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.633741 (E_RNA)
where:
Base-Base interactions energy: -1730.444
where: short stacking energy: -720.209
Base-Backbone interact. energy: 1.257
local terms energy: -789.447531
where:
bonds (distance) C4'-P energy: -146.384
bonds (distance) P-C4' energy: -143.411
flat angles C4'-P-C4' energy: -174.553
flat angles P-C4'-P energy: -113.640
tors. eta vs tors. theta energy: -211.459
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: 4
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -2461.105513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.105513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.397066 (E_RNA)
where:
Base-Base interactions energy: -1650.573
where: short stacking energy: -712.815
Base-Backbone interact. energy: 4.595
local terms energy: -816.419080
where:
bonds (distance) C4'-P energy: -153.841
bonds (distance) P-C4' energy: -161.579
flat angles C4'-P-C4' energy: -176.154
flat angles P-C4'-P energy: -116.132
tors. eta vs tors. theta energy: -208.713
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: 6, replica: 1
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -2270.907593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.907593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.410100 (E_RNA)
where:
Base-Base interactions energy: -1550.805
where: short stacking energy: -659.890
Base-Backbone interact. energy: 2.751
local terms energy: -725.355736
where:
bonds (distance) C4'-P energy: -137.218
bonds (distance) P-C4' energy: -134.882
flat angles C4'-P-C4' energy: -171.248
flat angles P-C4'-P energy: -94.280
tors. eta vs tors. theta energy: -187.729
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: 7, replica: 6
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -2166.913279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.913279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.344476 (E_RNA)
where:
Base-Base interactions energy: -1467.906
where: short stacking energy: -612.636
Base-Backbone interact. energy: -1.870
local terms energy: -703.568997
where:
bonds (distance) C4'-P energy: -139.690
bonds (distance) P-C4' energy: -151.230
flat angles C4'-P-C4' energy: -155.006
flat angles P-C4'-P energy: -90.516
tors. eta vs tors. theta energy: -167.128
Dist. restrs. and SS energy: 6.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -2028.515685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.515685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.657732 (E_RNA)
where:
Base-Base interactions energy: -1369.249
where: short stacking energy: -594.071
Base-Backbone interact. energy: 2.979
local terms energy: -665.388167
where:
bonds (distance) C4'-P energy: -127.600
bonds (distance) P-C4' energy: -145.812
flat angles C4'-P-C4' energy: -143.661
flat angles P-C4'-P energy: -95.018
tors. eta vs tors. theta energy: -153.298
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: 9, replica: 3
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -1933.911336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.911336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.317780 (E_RNA)
where:
Base-Base interactions energy: -1317.465
where: short stacking energy: -550.667
Base-Backbone interact. energy: 2.258
local terms energy: -623.110842
where:
bonds (distance) C4'-P energy: -127.912
bonds (distance) P-C4' energy: -136.097
flat angles C4'-P-C4' energy: -136.189
flat angles P-C4'-P energy: -83.198
tors. eta vs tors. theta energy: -139.714
Dist. restrs. and SS energy: 4.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -1778.168699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.168699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.521194 (E_RNA)
where:
Base-Base interactions energy: -1208.863
where: short stacking energy: -506.122
Base-Backbone interact. energy: 2.330
local terms energy: -579.988119
where:
bonds (distance) C4'-P energy: -112.224
bonds (distance) P-C4' energy: -137.160
flat angles C4'-P-C4' energy: -118.554
flat angles P-C4'-P energy: -88.395
tors. eta vs tors. theta energy: -123.655
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: 1, replica: 9
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -2873.426573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2873.426573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2874.623175 (E_RNA)
where:
Base-Base interactions energy: -1969.451
where: short stacking energy: -862.640
Base-Backbone interact. energy: -4.317
local terms energy: -900.855679
where:
bonds (distance) C4'-P energy: -167.998
bonds (distance) P-C4' energy: -171.757
flat angles C4'-P-C4' energy: -181.049
flat angles P-C4'-P energy: -120.939
tors. eta vs tors. theta energy: -259.113
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: 2, replica: 10
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -2775.867836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.867836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.862706 (E_RNA)
where:
Base-Base interactions energy: -1924.334
where: short stacking energy: -807.671
Base-Backbone interact. energy: -1.952
local terms energy: -851.576538
where:
bonds (distance) C4'-P energy: -149.162
bonds (distance) P-C4' energy: -163.997
flat angles C4'-P-C4' energy: -176.298
flat angles P-C4'-P energy: -125.940
tors. eta vs tors. theta energy: -236.180
Dist. restrs. and SS energy: 1.995 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -2650.025702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.025702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.573358 (E_RNA)
where:
Base-Base interactions energy: -1827.655
where: short stacking energy: -764.235
Base-Backbone interact. energy: -5.786
local terms energy: -818.132438
where:
bonds (distance) C4'-P energy: -142.522
bonds (distance) P-C4' energy: -169.907
flat angles C4'-P-C4' energy: -180.165
flat angles P-C4'-P energy: -116.577
tors. eta vs tors. theta energy: -208.963
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: 4, replica: 2
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -2506.361418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.361418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.771769 (E_RNA)
where:
Base-Base interactions energy: -1732.540
where: short stacking energy: -729.471
Base-Backbone interact. energy: 0.644
local terms energy: -776.875906
where:
bonds (distance) C4'-P energy: -141.041
bonds (distance) P-C4' energy: -144.192
flat angles C4'-P-C4' energy: -177.256
flat angles P-C4'-P energy: -110.655
tors. eta vs tors. theta energy: -203.732
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: 5, replica: 4
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -2431.553888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.553888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.348329 (E_RNA)
where:
Base-Base interactions energy: -1665.531
where: short stacking energy: -720.138
Base-Backbone interact. energy: -0.006
local terms energy: -768.812223
where:
bonds (distance) C4'-P energy: -134.950
bonds (distance) P-C4' energy: -139.260
flat angles C4'-P-C4' energy: -158.514
flat angles P-C4'-P energy: -114.852
tors. eta vs tors. theta energy: -221.236
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: 1
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -2268.299551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.299551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.510356 (E_RNA)
where:
Base-Base interactions energy: -1541.764
where: short stacking energy: -659.903
Base-Backbone interact. energy: -5.140
local terms energy: -723.605413
where:
bonds (distance) C4'-P energy: -147.289
bonds (distance) P-C4' energy: -122.459
flat angles C4'-P-C4' energy: -170.666
flat angles P-C4'-P energy: -105.004
tors. eta vs tors. theta energy: -178.187
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: 7, replica: 6
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -2169.351431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.351431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.385500 (E_RNA)
where:
Base-Base interactions energy: -1473.965
where: short stacking energy: -620.647
Base-Backbone interact. energy: -1.645
local terms energy: -695.776121
where:
bonds (distance) C4'-P energy: -147.703
bonds (distance) P-C4' energy: -125.543
flat angles C4'-P-C4' energy: -156.789
flat angles P-C4'-P energy: -98.981
tors. eta vs tors. theta energy: -166.760
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: 5
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -2017.650213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.650213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.576564 (E_RNA)
where:
Base-Base interactions energy: -1351.968
where: short stacking energy: -568.398
Base-Backbone interact. energy: 3.235
local terms energy: -670.843362
where:
bonds (distance) C4'-P energy: -134.965
bonds (distance) P-C4' energy: -148.301
flat angles C4'-P-C4' energy: -138.570
flat angles P-C4'-P energy: -98.549
tors. eta vs tors. theta energy: -150.458
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: 9, replica: 3
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -1921.858426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.858426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.423402 (E_RNA)
where:
Base-Base interactions energy: -1300.838
where: short stacking energy: -544.011
Base-Backbone interact. energy: 0.953
local terms energy: -625.538397
where:
bonds (distance) C4'-P energy: -127.125
bonds (distance) P-C4' energy: -151.792
flat angles C4'-P-C4' energy: -130.661
flat angles P-C4'-P energy: -86.357
tors. eta vs tors. theta energy: -129.604
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: 10, replica: 8
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -1829.435233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.435233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.599339 (E_RNA)
where:
Base-Base interactions energy: -1255.196
where: short stacking energy: -526.881
Base-Backbone interact. energy: -3.237
local terms energy: -580.165813
where:
bonds (distance) C4'-P energy: -122.863
bonds (distance) P-C4' energy: -131.067
flat angles C4'-P-C4' energy: -127.744
flat angles P-C4'-P energy: -72.869
tors. eta vs tors. theta energy: -125.622
Dist. restrs. and SS energy: 9.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -2873.687738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2873.687738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2874.319579 (E_RNA)
where:
Base-Base interactions energy: -1984.779
where: short stacking energy: -850.441
Base-Backbone interact. energy: -4.457
local terms energy: -885.083854
where:
bonds (distance) C4'-P energy: -156.822
bonds (distance) P-C4' energy: -156.188
flat angles C4'-P-C4' energy: -186.577
flat angles P-C4'-P energy: -141.998
tors. eta vs tors. theta energy: -243.498
Dist. restrs. and SS energy: 0.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -2784.953596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.953596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.799110 (E_RNA)
where:
Base-Base interactions energy: -1909.707
where: short stacking energy: -817.008
Base-Backbone interact. energy: -3.287
local terms energy: -873.805527
where:
bonds (distance) C4'-P energy: -160.668
bonds (distance) P-C4' energy: -164.663
flat angles C4'-P-C4' energy: -175.144
flat angles P-C4'-P energy: -117.557
tors. eta vs tors. theta energy: -255.774
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: 3, replica: 7
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -2688.631898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.631898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.470091 (E_RNA)
where:
Base-Base interactions energy: -1848.971
where: short stacking energy: -758.258
Base-Backbone interact. energy: 4.123
local terms energy: -844.622589
where:
bonds (distance) C4'-P energy: -154.411
bonds (distance) P-C4' energy: -163.212
flat angles C4'-P-C4' energy: -178.029
flat angles P-C4'-P energy: -123.838
tors. eta vs tors. theta energy: -225.134
Dist. restrs. and SS energy: 0.838 (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: 2
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -2503.452580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.452580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.410123 (E_RNA)
where:
Base-Base interactions energy: -1722.253
where: short stacking energy: -750.358
Base-Backbone interact. energy: -2.072
local terms energy: -781.085216
where:
bonds (distance) C4'-P energy: -140.486
bonds (distance) P-C4' energy: -137.673
flat angles C4'-P-C4' energy: -169.181
flat angles P-C4'-P energy: -112.464
tors. eta vs tors. theta energy: -221.282
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: 5, replica: 4
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -2336.974849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.974849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.297514 (E_RNA)
where:
Base-Base interactions energy: -1605.260
where: short stacking energy: -704.465
Base-Backbone interact. energy: -5.801
local terms energy: -727.236161
where:
bonds (distance) C4'-P energy: -128.893
bonds (distance) P-C4' energy: -148.807
flat angles C4'-P-C4' energy: -165.264
flat angles P-C4'-P energy: -94.328
tors. eta vs tors. theta energy: -189.943
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: 6, replica: 1
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -2288.924821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.924821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.232884 (E_RNA)
where:
Base-Base interactions energy: -1564.196
where: short stacking energy: -679.724
Base-Backbone interact. energy: -1.569
local terms energy: -725.467150
where:
bonds (distance) C4'-P energy: -127.897
bonds (distance) P-C4' energy: -130.706
flat angles C4'-P-C4' energy: -163.258
flat angles P-C4'-P energy: -104.506
tors. eta vs tors. theta energy: -199.100
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: 7, replica: 6
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -2200.933327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.933327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.373896 (E_RNA)
where:
Base-Base interactions energy: -1490.277
where: short stacking energy: -641.580
Base-Backbone interact. energy: -0.697
local terms energy: -712.400363
where:
bonds (distance) C4'-P energy: -137.122
bonds (distance) P-C4' energy: -136.865
flat angles C4'-P-C4' energy: -161.003
flat angles P-C4'-P energy: -103.493
tors. eta vs tors. theta energy: -173.917
Dist. restrs. and SS energy: 2.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -2009.093465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.093465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.807990 (E_RNA)
where:
Base-Base interactions energy: -1347.382
where: short stacking energy: -564.950
Base-Backbone interact. energy: -0.925
local terms energy: -663.500426
where:
bonds (distance) C4'-P energy: -124.938
bonds (distance) P-C4' energy: -158.187
flat angles C4'-P-C4' energy: -136.532
flat angles P-C4'-P energy: -90.313
tors. eta vs tors. theta energy: -153.529
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: 9, replica: 3
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -1944.335895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.335895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.757610 (E_RNA)
where:
Base-Base interactions energy: -1301.673
where: short stacking energy: -531.266
Base-Backbone interact. energy: 0.394
local terms energy: -645.478495
where:
bonds (distance) C4'-P energy: -133.660
bonds (distance) P-C4' energy: -131.326
flat angles C4'-P-C4' energy: -152.622
flat angles P-C4'-P energy: -87.986
tors. eta vs tors. theta energy: -139.885
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: 10, replica: 8
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -1834.877604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.877604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.027224 (E_RNA)
where:
Base-Base interactions energy: -1262.460
where: short stacking energy: -531.460
Base-Backbone interact. energy: -1.852
local terms energy: -574.715306
where:
bonds (distance) C4'-P energy: -127.109
bonds (distance) P-C4' energy: -112.039
flat angles C4'-P-C4' energy: -115.474
flat angles P-C4'-P energy: -65.288
tors. eta vs tors. theta energy: -154.805
Dist. restrs. and SS energy: 4.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -2868.351228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2868.351228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2870.122529 (E_RNA)
where:
Base-Base interactions energy: -1983.025
where: short stacking energy: -846.861
Base-Backbone interact. energy: -4.566
local terms energy: -882.531590
where:
bonds (distance) C4'-P energy: -152.535
bonds (distance) P-C4' energy: -167.886
flat angles C4'-P-C4' energy: -182.231
flat angles P-C4'-P energy: -124.463
tors. eta vs tors. theta energy: -255.416
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: 10
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -2794.354427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.354427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.325406 (E_RNA)
where:
Base-Base interactions energy: -1931.835
where: short stacking energy: -810.079
Base-Backbone interact. energy: 5.044
local terms energy: -868.533737
where:
bonds (distance) C4'-P energy: -153.351
bonds (distance) P-C4' energy: -156.418
flat angles C4'-P-C4' energy: -185.934
flat angles P-C4'-P energy: -136.976
tors. eta vs tors. theta energy: -235.854
Dist. restrs. and SS energy: 0.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -2659.686042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.686042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.373343 (E_RNA)
where:
Base-Base interactions energy: -1858.450
where: short stacking energy: -772.210
Base-Backbone interact. energy: -3.359
local terms energy: -799.564599
where:
bonds (distance) C4'-P energy: -147.320
bonds (distance) P-C4' energy: -156.761
flat angles C4'-P-C4' energy: -168.225
flat angles P-C4'-P energy: -104.390
tors. eta vs tors. theta energy: -222.869
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: 4, replica: 2
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -2480.955189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.955189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.896467 (E_RNA)
where:
Base-Base interactions energy: -1697.017
where: short stacking energy: -724.370
Base-Backbone interact. energy: -2.453
local terms energy: -784.427062
where:
bonds (distance) C4'-P energy: -143.169
bonds (distance) P-C4' energy: -147.763
flat angles C4'-P-C4' energy: -175.207
flat angles P-C4'-P energy: -106.832
tors. eta vs tors. theta energy: -211.457
Dist. restrs. and SS energy: 2.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -2405.112451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.112451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.863768 (E_RNA)
where:
Base-Base interactions energy: -1644.114
where: short stacking energy: -707.975
Base-Backbone interact. energy: -1.477
local terms energy: -760.272284
where:
bonds (distance) C4'-P energy: -128.594
bonds (distance) P-C4' energy: -149.882
flat angles C4'-P-C4' energy: -165.653
flat angles P-C4'-P energy: -100.809
tors. eta vs tors. theta energy: -215.335
Dist. restrs. and SS energy: 0.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -2207.029467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.029467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.666125 (E_RNA)
where:
Base-Base interactions energy: -1521.993
where: short stacking energy: -657.092
Base-Backbone interact. energy: -2.488
local terms energy: -687.185083
where:
bonds (distance) C4'-P energy: -138.699
bonds (distance) P-C4' energy: -119.591
flat angles C4'-P-C4' energy: -144.213
flat angles P-C4'-P energy: -102.098
tors. eta vs tors. theta energy: -182.584
Dist. restrs. and SS energy: 4.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -2182.095701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.095701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.520574 (E_RNA)
where:
Base-Base interactions energy: -1476.727
where: short stacking energy: -620.676
Base-Backbone interact. energy: 3.568
local terms energy: -712.361577
where:
bonds (distance) C4'-P energy: -143.372
bonds (distance) P-C4' energy: -130.678
flat angles C4'-P-C4' energy: -153.622
flat angles P-C4'-P energy: -110.704
tors. eta vs tors. theta energy: -173.985
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: 8, replica: 5
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -2038.015687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.015687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.872339 (E_RNA)
where:
Base-Base interactions energy: -1376.133
where: short stacking energy: -602.144
Base-Backbone interact. energy: -2.307
local terms energy: -662.432523
where:
bonds (distance) C4'-P energy: -114.284
bonds (distance) P-C4' energy: -125.332
flat angles C4'-P-C4' energy: -161.584
flat angles P-C4'-P energy: -97.579
tors. eta vs tors. theta energy: -163.654
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: 9, replica: 3
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -1975.521635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.521635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.688349 (E_RNA)
where:
Base-Base interactions energy: -1324.815
where: short stacking energy: -561.419
Base-Backbone interact. energy: 3.139
local terms energy: -657.011627
where:
bonds (distance) C4'-P energy: -129.153
bonds (distance) P-C4' energy: -129.921
flat angles C4'-P-C4' energy: -159.361
flat angles P-C4'-P energy: -98.456
tors. eta vs tors. theta energy: -140.121
Dist. restrs. and SS energy: 3.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -1856.250394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.250394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.502737 (E_RNA)
where:
Base-Base interactions energy: -1272.773
where: short stacking energy: -523.114
Base-Backbone interact. energy: -3.356
local terms energy: -582.373948
where:
bonds (distance) C4'-P energy: -103.084
bonds (distance) P-C4' energy: -132.876
flat angles C4'-P-C4' energy: -128.119
flat angles P-C4'-P energy: -89.029
tors. eta vs tors. theta energy: -129.266
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: 1, replica: 9
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -2875.726845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2875.726845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2877.650742 (E_RNA)
where:
Base-Base interactions energy: -1981.795
where: short stacking energy: -830.035
Base-Backbone interact. energy: -2.235
local terms energy: -893.621057
where:
bonds (distance) C4'-P energy: -162.179
bonds (distance) P-C4' energy: -160.678
flat angles C4'-P-C4' energy: -182.990
flat angles P-C4'-P energy: -130.987
tors. eta vs tors. theta energy: -256.787
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: 2, replica: 10
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -2802.051448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.051448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.386135 (E_RNA)
where:
Base-Base interactions energy: -1959.125
where: short stacking energy: -806.245
Base-Backbone interact. energy: -0.092
local terms energy: -844.168890
where:
bonds (distance) C4'-P energy: -146.614
bonds (distance) P-C4' energy: -161.109
flat angles C4'-P-C4' energy: -179.325
flat angles P-C4'-P energy: -118.654
tors. eta vs tors. theta energy: -238.467
Dist. restrs. and SS energy: 1.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -2703.641745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.641745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.354833 (E_RNA)
where:
Base-Base interactions energy: -1889.318
where: short stacking energy: -805.865
Base-Backbone interact. energy: 4.667
local terms energy: -820.703635
where:
bonds (distance) C4'-P energy: -137.997
bonds (distance) P-C4' energy: -150.572
flat angles C4'-P-C4' energy: -176.048
flat angles P-C4'-P energy: -125.300
tors. eta vs tors. theta energy: -230.786
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: 4, replica: 4
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -2440.916108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.916108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.764057 (E_RNA)
where:
Base-Base interactions energy: -1654.276
where: short stacking energy: -730.200
Base-Backbone interact. energy: 2.659
local terms energy: -791.147387
where:
bonds (distance) C4'-P energy: -149.710
bonds (distance) P-C4' energy: -155.214
flat angles C4'-P-C4' energy: -169.348
flat angles P-C4'-P energy: -119.284
tors. eta vs tors. theta energy: -197.590
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: 5, replica: 2
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -2426.676309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.676309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.996093 (E_RNA)
where:
Base-Base interactions energy: -1691.295
where: short stacking energy: -708.142
Base-Backbone interact. energy: 0.238
local terms energy: -738.939233
where:
bonds (distance) C4'-P energy: -131.466
bonds (distance) P-C4' energy: -138.877
flat angles C4'-P-C4' energy: -171.598
flat angles P-C4'-P energy: -103.840
tors. eta vs tors. theta energy: -193.158
Dist. restrs. and SS energy: 3.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -2237.419600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.419600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.925806 (E_RNA)
where:
Base-Base interactions energy: -1531.823
where: short stacking energy: -636.929
Base-Backbone interact. energy: 1.523
local terms energy: -709.625713
where:
bonds (distance) C4'-P energy: -142.474
bonds (distance) P-C4' energy: -152.588
flat angles C4'-P-C4' energy: -134.246
flat angles P-C4'-P energy: -105.787
tors. eta vs tors. theta energy: -174.531
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: 7, replica: 1
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -2149.824395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.824395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.390132 (E_RNA)
where:
Base-Base interactions energy: -1493.754
where: short stacking energy: -630.920
Base-Backbone interact. energy: -2.177
local terms energy: -656.459179
where:
bonds (distance) C4'-P energy: -120.844
bonds (distance) P-C4' energy: -121.315
flat angles C4'-P-C4' energy: -165.444
flat angles P-C4'-P energy: -85.860
tors. eta vs tors. theta energy: -162.996
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: 8, replica: 3
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -2056.354191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.354191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.078373 (E_RNA)
where:
Base-Base interactions energy: -1383.413
where: short stacking energy: -589.527
Base-Backbone interact. energy: -3.973
local terms energy: -672.692492
where:
bonds (distance) C4'-P energy: -120.585
bonds (distance) P-C4' energy: -131.984
flat angles C4'-P-C4' energy: -150.339
flat angles P-C4'-P energy: -108.349
tors. eta vs tors. theta energy: -161.435
Dist. restrs. and SS energy: 3.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -1955.683736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.683736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.848155 (E_RNA)
where:
Base-Base interactions energy: -1355.981
where: short stacking energy: -587.413
Base-Backbone interact. energy: -3.255
local terms energy: -599.612100
where:
bonds (distance) C4'-P energy: -112.035
bonds (distance) P-C4' energy: -108.173
flat angles C4'-P-C4' energy: -121.346
flat angles P-C4'-P energy: -95.269
tors. eta vs tors. theta energy: -162.790
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: 8
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -1826.118251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.118251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.387004 (E_RNA)
where:
Base-Base interactions energy: -1242.440
where: short stacking energy: -521.274
Base-Backbone interact. energy: -2.220
local terms energy: -590.726694
where:
bonds (distance) C4'-P energy: -125.905
bonds (distance) P-C4' energy: -123.825
flat angles C4'-P-C4' energy: -137.213
flat angles P-C4'-P energy: -76.132
tors. eta vs tors. theta energy: -127.651
Dist. restrs. and SS energy: 9.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -2838.402885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2838.402885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2839.864046 (E_RNA)
where:
Base-Base interactions energy: -1970.008
where: short stacking energy: -834.592
Base-Backbone interact. energy: 0.579
local terms energy: -870.434446
where:
bonds (distance) C4'-P energy: -158.261
bonds (distance) P-C4' energy: -156.352
flat angles C4'-P-C4' energy: -185.997
flat angles P-C4'-P energy: -127.513
tors. eta vs tors. theta energy: -242.312
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: 2, replica: 10
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -2812.997719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.997719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.654285 (E_RNA)
where:
Base-Base interactions energy: -1975.409
where: short stacking energy: -792.105
Base-Backbone interact. energy: 2.782
local terms energy: -842.026984
where:
bonds (distance) C4'-P energy: -148.577
bonds (distance) P-C4' energy: -157.005
flat angles C4'-P-C4' energy: -173.967
flat angles P-C4'-P energy: -132.028
tors. eta vs tors. theta energy: -230.451
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: 276
Temperature: 1.000000
Total energy: -2690.495167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.495167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.775220 (E_RNA)
where:
Base-Base interactions energy: -1876.887
where: short stacking energy: -797.172
Base-Backbone interact. energy: -2.578
local terms energy: -812.311005
where:
bonds (distance) C4'-P energy: -145.789
bonds (distance) P-C4' energy: -160.409
flat angles C4'-P-C4' energy: -173.836
flat angles P-C4'-P energy: -102.339
tors. eta vs tors. theta energy: -229.939
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: 4
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -2397.540135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.540135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.388857 (E_RNA)
where:
Base-Base interactions energy: -1619.777
where: short stacking energy: -697.767
Base-Backbone interact. energy: 0.750
local terms energy: -780.362653
where:
bonds (distance) C4'-P energy: -150.823
bonds (distance) P-C4' energy: -148.152
flat angles C4'-P-C4' energy: -176.879
flat angles P-C4'-P energy: -103.767
tors. eta vs tors. theta energy: -200.741
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: 5, replica: 2
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -2441.451899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.451899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.921678 (E_RNA)
where:
Base-Base interactions energy: -1705.625
where: short stacking energy: -688.310
Base-Backbone interact. energy: 3.434
local terms energy: -742.730842
where:
bonds (distance) C4'-P energy: -149.506
bonds (distance) P-C4' energy: -136.328
flat angles C4'-P-C4' energy: -152.004
flat angles P-C4'-P energy: -101.927
tors. eta vs tors. theta energy: -202.966
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: 6, replica: 6
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -2293.087515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.087515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.488656 (E_RNA)
where:
Base-Base interactions energy: -1560.346
where: short stacking energy: -655.300
Base-Backbone interact. energy: -4.013
local terms energy: -731.129758
where:
bonds (distance) C4'-P energy: -143.917
bonds (distance) P-C4' energy: -155.650
flat angles C4'-P-C4' energy: -158.386
flat angles P-C4'-P energy: -92.818
tors. eta vs tors. theta energy: -180.358
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: 7, replica: 1
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -2163.843388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.843388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.005096 (E_RNA)
where:
Base-Base interactions energy: -1467.077
where: short stacking energy: -609.268
Base-Backbone interact. energy: -1.849
local terms energy: -698.079596
where:
bonds (distance) C4'-P energy: -124.217
bonds (distance) P-C4' energy: -133.263
flat angles C4'-P-C4' energy: -157.234
flat angles P-C4'-P energy: -111.295
tors. eta vs tors. theta energy: -172.070
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: 8, replica: 3
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -2004.365479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.365479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.734585 (E_RNA)
where:
Base-Base interactions energy: -1345.596
where: short stacking energy: -578.573
Base-Backbone interact. energy: -1.318
local terms energy: -659.820627
where:
bonds (distance) C4'-P energy: -134.968
bonds (distance) P-C4' energy: -131.944
flat angles C4'-P-C4' energy: -152.242
flat angles P-C4'-P energy: -95.885
tors. eta vs tors. theta energy: -144.781
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: 9, replica: 5
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -1938.670386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.670386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.816144 (E_RNA)
where:
Base-Base interactions energy: -1299.652
where: short stacking energy: -548.584
Base-Backbone interact. energy: 3.694
local terms energy: -645.858025
where:
bonds (distance) C4'-P energy: -130.354
bonds (distance) P-C4' energy: -137.477
flat angles C4'-P-C4' energy: -141.930
flat angles P-C4'-P energy: -86.069
tors. eta vs tors. theta energy: -150.028
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: 276
Temperature: 1.350000
Total energy: -1841.073772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.073772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.131872 (E_RNA)
where:
Base-Base interactions energy: -1240.590
where: short stacking energy: -497.146
Base-Backbone interact. energy: 5.339
local terms energy: -610.880794
where:
bonds (distance) C4'-P energy: -135.073
bonds (distance) P-C4' energy: -129.712
flat angles C4'-P-C4' energy: -125.465
flat angles P-C4'-P energy: -91.855
tors. eta vs tors. theta energy: -128.775
Dist. restrs. and SS energy: 5.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -2873.379803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2873.379803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2876.550106 (E_RNA)
where:
Base-Base interactions energy: -1982.731
where: short stacking energy: -852.375
Base-Backbone interact. energy: 1.080
local terms energy: -894.898951
where:
bonds (distance) C4'-P energy: -149.278
bonds (distance) P-C4' energy: -168.107
flat angles C4'-P-C4' energy: -181.077
flat angles P-C4'-P energy: -141.673
tors. eta vs tors. theta energy: -254.765
Dist. restrs. and SS energy: 3.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -2789.365455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.365455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.692138 (E_RNA)
where:
Base-Base interactions energy: -1968.328
where: short stacking energy: -825.448
Base-Backbone interact. energy: 3.063
local terms energy: -825.427027
where:
bonds (distance) C4'-P energy: -134.418
bonds (distance) P-C4' energy: -141.311
flat angles C4'-P-C4' energy: -180.232
flat angles P-C4'-P energy: -126.598
tors. eta vs tors. theta energy: -242.868
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: 3, replica: 7
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -2673.815144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.815144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.527243 (E_RNA)
where:
Base-Base interactions energy: -1838.581
where: short stacking energy: -764.690
Base-Backbone interact. energy: -0.339
local terms energy: -836.607324
where:
bonds (distance) C4'-P energy: -137.819
bonds (distance) P-C4' energy: -162.477
flat angles C4'-P-C4' energy: -175.577
flat angles P-C4'-P energy: -130.423
tors. eta vs tors. theta energy: -230.312
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: 4
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -2480.134370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.134370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.109655 (E_RNA)
where:
Base-Base interactions energy: -1674.404
where: short stacking energy: -723.062
Base-Backbone interact. energy: 1.823
local terms energy: -809.528865
where:
bonds (distance) C4'-P energy: -160.038
bonds (distance) P-C4' energy: -158.290
flat angles C4'-P-C4' energy: -168.804
flat angles P-C4'-P energy: -105.363
tors. eta vs tors. theta energy: -217.034
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: 5, replica: 2
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -2471.214015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.214015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.028136 (E_RNA)
where:
Base-Base interactions energy: -1676.766
where: short stacking energy: -712.726
Base-Backbone interact. energy: 0.018
local terms energy: -797.280255
where:
bonds (distance) C4'-P energy: -135.816
bonds (distance) P-C4' energy: -161.228
flat angles C4'-P-C4' energy: -181.904
flat angles P-C4'-P energy: -100.012
tors. eta vs tors. theta energy: -218.320
Dist. restrs. and SS energy: 2.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -2305.864194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.864194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.339910 (E_RNA)
where:
Base-Base interactions energy: -1563.383
where: short stacking energy: -681.603
Base-Backbone interact. energy: -2.386
local terms energy: -743.570793
where:
bonds (distance) C4'-P energy: -135.007
bonds (distance) P-C4' energy: -145.278
flat angles C4'-P-C4' energy: -155.918
flat angles P-C4'-P energy: -112.699
tors. eta vs tors. theta energy: -194.670
Dist. restrs. and SS energy: 3.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -2197.844018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.844018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.680882 (E_RNA)
where:
Base-Base interactions energy: -1456.091
where: short stacking energy: -621.113
Base-Backbone interact. energy: 0.584
local terms energy: -745.174078
where:
bonds (distance) C4'-P energy: -148.914
bonds (distance) P-C4' energy: -162.149
flat angles C4'-P-C4' energy: -147.684
flat angles P-C4'-P energy: -107.625
tors. eta vs tors. theta energy: -178.803
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: 8, replica: 3
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -1995.837800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.837800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.633785 (E_RNA)
where:
Base-Base interactions energy: -1337.850
where: short stacking energy: -570.416
Base-Backbone interact. energy: -0.602
local terms energy: -660.182454
where:
bonds (distance) C4'-P energy: -126.607
bonds (distance) P-C4' energy: -117.811
flat angles C4'-P-C4' energy: -153.323
flat angles P-C4'-P energy: -108.546
tors. eta vs tors. theta energy: -153.897
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: 5
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -1948.587912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.587912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.479423 (E_RNA)
where:
Base-Base interactions energy: -1335.524
where: short stacking energy: -558.308
Base-Backbone interact. energy: 7.427
local terms energy: -622.382149
where:
bonds (distance) C4'-P energy: -114.348
bonds (distance) P-C4' energy: -135.968
flat angles C4'-P-C4' energy: -143.320
flat angles P-C4'-P energy: -91.581
tors. eta vs tors. theta energy: -137.165
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: 10, replica: 8
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -1882.368269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.368269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.736069 (E_RNA)
where:
Base-Base interactions energy: -1289.856
where: short stacking energy: -563.805
Base-Backbone interact. energy: -1.765
local terms energy: -594.114512
where:
bonds (distance) C4'-P energy: -111.432
bonds (distance) P-C4' energy: -130.832
flat angles C4'-P-C4' energy: -132.592
flat angles P-C4'-P energy: -79.127
tors. eta vs tors. theta energy: -140.131
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: 1, replica: 9
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -2883.635134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2883.635134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2886.865866 (E_RNA)
where:
Base-Base interactions energy: -2006.600
where: short stacking energy: -829.082
Base-Backbone interact. energy: 1.154
local terms energy: -881.419630
where:
bonds (distance) C4'-P energy: -171.135
bonds (distance) P-C4' energy: -152.424
flat angles C4'-P-C4' energy: -181.030
flat angles P-C4'-P energy: -121.601
tors. eta vs tors. theta energy: -255.230
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: 2, replica: 10
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -2789.764405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.764405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.803081 (E_RNA)
where:
Base-Base interactions energy: -1941.059
where: short stacking energy: -821.813
Base-Backbone interact. energy: -3.892
local terms energy: -845.852509
where:
bonds (distance) C4'-P energy: -147.964
bonds (distance) P-C4' energy: -158.460
flat angles C4'-P-C4' energy: -176.542
flat angles P-C4'-P energy: -131.666
tors. eta vs tors. theta energy: -231.221
Dist. restrs. and SS energy: 1.039 (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: 7
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -2691.511302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.511302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.300765 (E_RNA)
where:
Base-Base interactions energy: -1822.901
where: short stacking energy: -775.940
Base-Backbone interact. energy: -2.342
local terms energy: -868.057790
where:
bonds (distance) C4'-P energy: -150.145
bonds (distance) P-C4' energy: -162.327
flat angles C4'-P-C4' energy: -188.917
flat angles P-C4'-P energy: -127.312
tors. eta vs tors. theta energy: -239.357
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: 4
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -2502.926446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.926446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.508159 (E_RNA)
where:
Base-Base interactions energy: -1704.771
where: short stacking energy: -736.350
Base-Backbone interact. energy: -0.385
local terms energy: -799.351730
where:
bonds (distance) C4'-P energy: -128.226
bonds (distance) P-C4' energy: -172.365
flat angles C4'-P-C4' energy: -170.238
flat angles P-C4'-P energy: -119.903
tors. eta vs tors. theta energy: -208.620
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: 2
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -2412.952652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.952652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.110036 (E_RNA)
where:
Base-Base interactions energy: -1633.613
where: short stacking energy: -718.850
Base-Backbone interact. energy: 1.450
local terms energy: -783.946512
where:
bonds (distance) C4'-P energy: -133.914
bonds (distance) P-C4' energy: -142.250
flat angles C4'-P-C4' energy: -169.257
flat angles P-C4'-P energy: -118.118
tors. eta vs tors. theta energy: -220.408
Dist. restrs. and SS energy: 3.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -2237.796479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.796479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.344043 (E_RNA)
where:
Base-Base interactions energy: -1537.333
where: short stacking energy: -675.954
Base-Backbone interact. energy: -1.844
local terms energy: -702.166548
where:
bonds (distance) C4'-P energy: -124.877
bonds (distance) P-C4' energy: -148.289
flat angles C4'-P-C4' energy: -158.305
flat angles P-C4'-P energy: -89.026
tors. eta vs tors. theta energy: -181.670
Dist. restrs. and SS energy: 3.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -2155.676167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.676167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.221470 (E_RNA)
where:
Base-Base interactions energy: -1446.913
where: short stacking energy: -596.150
Base-Backbone interact. energy: -3.330
local terms energy: -708.978226
where:
bonds (distance) C4'-P energy: -131.492
bonds (distance) P-C4' energy: -145.850
flat angles C4'-P-C4' energy: -158.034
flat angles P-C4'-P energy: -101.695
tors. eta vs tors. theta energy: -171.907
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: 8, replica: 3
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -1971.054283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.054283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.720406 (E_RNA)
where:
Base-Base interactions energy: -1340.766
where: short stacking energy: -573.800
Base-Backbone interact. energy: 5.258
local terms energy: -641.213023
where:
bonds (distance) C4'-P energy: -136.038
bonds (distance) P-C4' energy: -144.735
flat angles C4'-P-C4' energy: -127.043
flat angles P-C4'-P energy: -92.853
tors. eta vs tors. theta energy: -140.544
Dist. restrs. and SS energy: 5.666 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -1928.345137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.345137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.136909 (E_RNA)
where:
Base-Base interactions energy: -1314.030
where: short stacking energy: -552.382
Base-Backbone interact. energy: -0.339
local terms energy: -616.767678
where:
bonds (distance) C4'-P energy: -137.088
bonds (distance) P-C4' energy: -134.242
flat angles C4'-P-C4' energy: -117.030
flat angles P-C4'-P energy: -88.712
tors. eta vs tors. theta energy: -139.695
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: 5
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -1823.770307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.770307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.833876 (E_RNA)
where:
Base-Base interactions energy: -1243.853
where: short stacking energy: -512.522
Base-Backbone interact. energy: -5.097
local terms energy: -578.884025
where:
bonds (distance) C4'-P energy: -96.322
bonds (distance) P-C4' energy: -128.320
flat angles C4'-P-C4' energy: -140.840
flat angles P-C4'-P energy: -89.817
tors. eta vs tors. theta energy: -123.585
Dist. restrs. and SS energy: 4.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -2907.365060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2907.365060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2909.218652 (E_RNA)
where:
Base-Base interactions energy: -2024.374
where: short stacking energy: -886.213
Base-Backbone interact. energy: 0.757
local terms energy: -885.601737
where:
bonds (distance) C4'-P energy: -144.411
bonds (distance) P-C4' energy: -157.412
flat angles C4'-P-C4' energy: -190.368
flat angles P-C4'-P energy: -146.164
tors. eta vs tors. theta energy: -247.247
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: 2, replica: 10
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -2817.077283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.077283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.852681 (E_RNA)
where:
Base-Base interactions energy: -1954.615
where: short stacking energy: -821.597
Base-Backbone interact. energy: -2.087
local terms energy: -861.150718
where:
bonds (distance) C4'-P energy: -162.651
bonds (distance) P-C4' energy: -145.121
flat angles C4'-P-C4' energy: -183.595
flat angles P-C4'-P energy: -118.661
tors. eta vs tors. theta energy: -251.124
Dist. restrs. and SS energy: 0.775 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -2689.176997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.176997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.870024 (E_RNA)
where:
Base-Base interactions energy: -1855.948
where: short stacking energy: -785.140
Base-Backbone interact. energy: -4.837
local terms energy: -830.085023
where:
bonds (distance) C4'-P energy: -131.612
bonds (distance) P-C4' energy: -161.327
flat angles C4'-P-C4' energy: -190.918
flat angles P-C4'-P energy: -116.932
tors. eta vs tors. theta energy: -229.296
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: 4
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -2419.846128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.846128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.234508 (E_RNA)
where:
Base-Base interactions energy: -1667.729
where: short stacking energy: -688.365
Base-Backbone interact. energy: -0.721
local terms energy: -752.784134
where:
bonds (distance) C4'-P energy: -142.626
bonds (distance) P-C4' energy: -140.724
flat angles C4'-P-C4' energy: -162.691
flat angles P-C4'-P energy: -112.592
tors. eta vs tors. theta energy: -194.152
Dist. restrs. and SS energy: 1.388 (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: 2
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -2446.856279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.856279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.326831 (E_RNA)
where:
Base-Base interactions energy: -1705.527
where: short stacking energy: -724.741
Base-Backbone interact. energy: -2.261
local terms energy: -741.539214
where:
bonds (distance) C4'-P energy: -131.160
bonds (distance) P-C4' energy: -141.760
flat angles C4'-P-C4' energy: -146.904
flat angles P-C4'-P energy: -108.055
tors. eta vs tors. theta energy: -213.660
Dist. restrs. and SS energy: 2.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -2265.828209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.828209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.135008 (E_RNA)
where:
Base-Base interactions energy: -1575.785
where: short stacking energy: -664.270
Base-Backbone interact. energy: 0.073
local terms energy: -691.423378
where:
bonds (distance) C4'-P energy: -144.297
bonds (distance) P-C4' energy: -145.897
flat angles C4'-P-C4' energy: -154.762
flat angles P-C4'-P energy: -69.397
tors. eta vs tors. theta energy: -177.072
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: 7, replica: 1
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -2195.875551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.875551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.162246 (E_RNA)
where:
Base-Base interactions energy: -1478.307
where: short stacking energy: -641.064
Base-Backbone interact. energy: 1.526
local terms energy: -722.381270
where:
bonds (distance) C4'-P energy: -139.720
bonds (distance) P-C4' energy: -131.074
flat angles C4'-P-C4' energy: -155.760
flat angles P-C4'-P energy: -98.161
tors. eta vs tors. theta energy: -197.666
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: 8, replica: 8
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -2023.620484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.620484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.978880 (E_RNA)
where:
Base-Base interactions energy: -1357.289
where: short stacking energy: -575.758
Base-Backbone interact. energy: -1.505
local terms energy: -666.184555
where:
bonds (distance) C4'-P energy: -115.797
bonds (distance) P-C4' energy: -146.435
flat angles C4'-P-C4' energy: -159.906
flat angles P-C4'-P energy: -82.559
tors. eta vs tors. theta energy: -161.488
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: 9, replica: 3
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -1933.233944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.233944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.203128 (E_RNA)
where:
Base-Base interactions energy: -1343.084
where: short stacking energy: -544.923
Base-Backbone interact. energy: 5.979
local terms energy: -598.098277
where:
bonds (distance) C4'-P energy: -131.659
bonds (distance) P-C4' energy: -131.132
flat angles C4'-P-C4' energy: -139.803
flat angles P-C4'-P energy: -73.808
tors. eta vs tors. theta energy: -121.696
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: 10, replica: 5
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -1861.915455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.915455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.618668 (E_RNA)
where:
Base-Base interactions energy: -1246.656
where: short stacking energy: -517.948
Base-Backbone interact. energy: -3.184
local terms energy: -614.778919
where:
bonds (distance) C4'-P energy: -116.309
bonds (distance) P-C4' energy: -139.185
flat angles C4'-P-C4' energy: -146.488
flat angles P-C4'-P energy: -85.946
tors. eta vs tors. theta energy: -126.851
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: 1, replica: 9
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -2929.181836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2929.181836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2931.682460 (E_RNA)
where:
Base-Base interactions energy: -2023.842
where: short stacking energy: -868.987
Base-Backbone interact. energy: -1.407
local terms energy: -906.432718
where:
bonds (distance) C4'-P energy: -171.622
bonds (distance) P-C4' energy: -161.109
flat angles C4'-P-C4' energy: -192.317
flat angles P-C4'-P energy: -123.314
tors. eta vs tors. theta energy: -258.070
Dist. restrs. and SS energy: 2.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -2815.545258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.545258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.335044 (E_RNA)
where:
Base-Base interactions energy: -1952.214
where: short stacking energy: -814.017
Base-Backbone interact. energy: -0.740
local terms energy: -864.380251
where:
bonds (distance) C4'-P energy: -165.212
bonds (distance) P-C4' energy: -161.910
flat angles C4'-P-C4' energy: -177.993
flat angles P-C4'-P energy: -114.585
tors. eta vs tors. theta energy: -244.680
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: 3, replica: 7
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -2675.368293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.368293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.743246 (E_RNA)
where:
Base-Base interactions energy: -1873.494
where: short stacking energy: -796.000
Base-Backbone interact. energy: -2.152
local terms energy: -802.097652
where:
bonds (distance) C4'-P energy: -157.300
bonds (distance) P-C4' energy: -132.440
flat angles C4'-P-C4' energy: -171.850
flat angles P-C4'-P energy: -99.786
tors. eta vs tors. theta energy: -240.722
Dist. restrs. and SS energy: 2.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -2446.970459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.970459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.172812 (E_RNA)
where:
Base-Base interactions energy: -1660.557
where: short stacking energy: -685.482
Base-Backbone interact. energy: 1.129
local terms energy: -788.744924
where:
bonds (distance) C4'-P energy: -140.568
bonds (distance) P-C4' energy: -154.146
flat angles C4'-P-C4' energy: -188.166
flat angles P-C4'-P energy: -106.047
tors. eta vs tors. theta energy: -199.818
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: 5, replica: 2
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -2447.555317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.555317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.443427 (E_RNA)
where:
Base-Base interactions energy: -1680.388
where: short stacking energy: -688.235
Base-Backbone interact. energy: -2.285
local terms energy: -767.770189
where:
bonds (distance) C4'-P energy: -134.692
bonds (distance) P-C4' energy: -139.748
flat angles C4'-P-C4' energy: -177.492
flat angles P-C4'-P energy: -113.035
tors. eta vs tors. theta energy: -202.802
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: 6, replica: 6
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -2299.344693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.344693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.406047 (E_RNA)
where:
Base-Base interactions energy: -1595.177
where: short stacking energy: -683.073
Base-Backbone interact. energy: 2.429
local terms energy: -709.658353
where:
bonds (distance) C4'-P energy: -131.447
bonds (distance) P-C4' energy: -130.467
flat angles C4'-P-C4' energy: -169.523
flat angles P-C4'-P energy: -96.856
tors. eta vs tors. theta energy: -181.365
Dist. restrs. and SS energy: 3.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -2207.947432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.947432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.993457 (E_RNA)
where:
Base-Base interactions energy: -1488.825
where: short stacking energy: -638.535
Base-Backbone interact. energy: 2.375
local terms energy: -724.543227
where:
bonds (distance) C4'-P energy: -149.282
bonds (distance) P-C4' energy: -147.291
flat angles C4'-P-C4' energy: -148.975
flat angles P-C4'-P energy: -101.236
tors. eta vs tors. theta energy: -177.760
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: 280
Temperature: 1.250000
Total energy: -2023.359782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.359782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.019849 (E_RNA)
where:
Base-Base interactions energy: -1364.265
where: short stacking energy: -582.108
Base-Backbone interact. energy: 0.689
local terms energy: -663.444182
where:
bonds (distance) C4'-P energy: -124.194
bonds (distance) P-C4' energy: -141.046
flat angles C4'-P-C4' energy: -134.999
flat angles P-C4'-P energy: -100.046
tors. eta vs tors. theta energy: -163.160
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: 9, replica: 3
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -1938.067907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.067907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.450027 (E_RNA)
where:
Base-Base interactions energy: -1298.444
where: short stacking energy: -529.512
Base-Backbone interact. energy: 14.065
local terms energy: -657.071079
where:
bonds (distance) C4'-P energy: -134.157
bonds (distance) P-C4' energy: -116.973
flat angles C4'-P-C4' energy: -159.400
flat angles P-C4'-P energy: -111.859
tors. eta vs tors. theta energy: -134.681
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: 10, replica: 5
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -1900.434886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.434886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.459204 (E_RNA)
where:
Base-Base interactions energy: -1313.257
where: short stacking energy: -575.515
Base-Backbone interact. energy: -1.248
local terms energy: -589.954716
where:
bonds (distance) C4'-P energy: -120.153
bonds (distance) P-C4' energy: -101.881
flat angles C4'-P-C4' energy: -147.458
flat angles P-C4'-P energy: -75.952
tors. eta vs tors. theta energy: -144.511
Dist. restrs. and SS energy: 4.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -2886.797168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2886.797168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2889.215007 (E_RNA)
where:
Base-Base interactions energy: -2020.664
where: short stacking energy: -852.694
Base-Backbone interact. energy: -3.059
local terms energy: -865.492036
where:
bonds (distance) C4'-P energy: -138.371
bonds (distance) P-C4' energy: -168.985
flat angles C4'-P-C4' energy: -184.272
flat angles P-C4'-P energy: -120.676
tors. eta vs tors. theta energy: -253.188
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: 2, replica: 10
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -2839.280394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2839.280394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2841.594278 (E_RNA)
where:
Base-Base interactions energy: -1958.217
where: short stacking energy: -819.696
Base-Backbone interact. energy: -1.652
local terms energy: -881.725430
where:
bonds (distance) C4'-P energy: -148.439
bonds (distance) P-C4' energy: -159.773
flat angles C4'-P-C4' energy: -199.320
flat angles P-C4'-P energy: -124.068
tors. eta vs tors. theta energy: -250.125
Dist. restrs. and SS energy: 2.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -2729.899561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.899561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.400965 (E_RNA)
where:
Base-Base interactions energy: -1884.496
where: short stacking energy: -790.669
Base-Backbone interact. energy: -1.977
local terms energy: -844.928344
where:
bonds (distance) C4'-P energy: -152.540
bonds (distance) P-C4' energy: -161.405
flat angles C4'-P-C4' energy: -187.355
flat angles P-C4'-P energy: -111.829
tors. eta vs tors. theta energy: -231.799
Dist. restrs. and SS energy: 1.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -2519.462328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.462328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.881417 (E_RNA)
where:
Base-Base interactions energy: -1738.656
where: short stacking energy: -723.080
Base-Backbone interact. energy: -1.773
local terms energy: -780.452611
where:
bonds (distance) C4'-P energy: -153.861
bonds (distance) P-C4' energy: -149.430
flat angles C4'-P-C4' energy: -165.044
flat angles P-C4'-P energy: -108.446
tors. eta vs tors. theta energy: -203.671
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: 5, replica: 4
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -2404.453921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.453921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.012224 (E_RNA)
where:
Base-Base interactions energy: -1622.425
where: short stacking energy: -698.543
Base-Backbone interact. energy: -1.677
local terms energy: -782.910266
where:
bonds (distance) C4'-P energy: -152.774
bonds (distance) P-C4' energy: -154.369
flat angles C4'-P-C4' energy: -168.762
flat angles P-C4'-P energy: -107.740
tors. eta vs tors. theta energy: -199.265
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: 6, replica: 6
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -2221.899825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.899825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.277463 (E_RNA)
where:
Base-Base interactions energy: -1511.315
where: short stacking energy: -649.373
Base-Backbone interact. energy: -0.118
local terms energy: -713.845068
where:
bonds (distance) C4'-P energy: -149.771
bonds (distance) P-C4' energy: -133.133
flat angles C4'-P-C4' energy: -152.452
flat angles P-C4'-P energy: -104.624
tors. eta vs tors. theta energy: -173.864
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: 7, replica: 1
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -2195.508972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.508972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.632948 (E_RNA)
where:
Base-Base interactions energy: -1524.801
where: short stacking energy: -664.876
Base-Backbone interact. energy: -2.509
local terms energy: -675.322549
where:
bonds (distance) C4'-P energy: -127.003
bonds (distance) P-C4' energy: -121.045
flat angles C4'-P-C4' energy: -158.228
flat angles P-C4'-P energy: -89.503
tors. eta vs tors. theta energy: -179.544
Dist. restrs. and SS energy: 7.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -2026.372280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.372280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.830159 (E_RNA)
where:
Base-Base interactions energy: -1358.685
where: short stacking energy: -600.340
Base-Backbone interact. energy: -4.487
local terms energy: -666.658351
where:
bonds (distance) C4'-P energy: -150.706
bonds (distance) P-C4' energy: -102.254
flat angles C4'-P-C4' energy: -165.318
flat angles P-C4'-P energy: -98.300
tors. eta vs tors. theta energy: -150.080
Dist. restrs. and SS energy: 3.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -1963.242210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.242210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.556367 (E_RNA)
where:
Base-Base interactions energy: -1330.906
where: short stacking energy: -579.910
Base-Backbone interact. energy: 7.908
local terms energy: -642.557650
where:
bonds (distance) C4'-P energy: -121.929
bonds (distance) P-C4' energy: -127.017
flat angles C4'-P-C4' energy: -161.118
flat angles P-C4'-P energy: -77.654
tors. eta vs tors. theta energy: -154.839
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: 10, replica: 5
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -1903.576882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.576882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.263869 (E_RNA)
where:
Base-Base interactions energy: -1258.653
where: short stacking energy: -540.935
Base-Backbone interact. energy: 6.091
local terms energy: -654.701254
where:
bonds (distance) C4'-P energy: -136.235
bonds (distance) P-C4' energy: -136.457
flat angles C4'-P-C4' energy: -140.715
flat angles P-C4'-P energy: -91.221
tors. eta vs tors. theta energy: -150.074
Dist. restrs. and SS energy: 3.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -2929.541573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2929.541573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2933.146355 (E_RNA)
where:
Base-Base interactions energy: -2041.579
where: short stacking energy: -863.385
Base-Backbone interact. energy: -4.109
local terms energy: -887.458048
where:
bonds (distance) C4'-P energy: -160.024
bonds (distance) P-C4' energy: -165.580
flat angles C4'-P-C4' energy: -193.427
flat angles P-C4'-P energy: -121.734
tors. eta vs tors. theta energy: -246.693
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: 2, replica: 10
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -2807.710386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.710386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.087224 (E_RNA)
where:
Base-Base interactions energy: -1953.558
where: short stacking energy: -809.005
Base-Backbone interact. energy: -2.915
local terms energy: -852.614313
where:
bonds (distance) C4'-P energy: -142.203
bonds (distance) P-C4' energy: -152.992
flat angles C4'-P-C4' energy: -186.205
flat angles P-C4'-P energy: -133.470
tors. eta vs tors. theta energy: -237.744
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: 3, replica: 7
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -2631.897195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.897195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.437645 (E_RNA)
where:
Base-Base interactions energy: -1826.755
where: short stacking energy: -775.590
Base-Backbone interact. energy: 0.167
local terms energy: -806.849742
where:
bonds (distance) C4'-P energy: -137.973
bonds (distance) P-C4' energy: -162.971
flat angles C4'-P-C4' energy: -174.373
flat angles P-C4'-P energy: -115.289
tors. eta vs tors. theta energy: -216.244
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: 4, replica: 2
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -2542.981207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.981207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.716960 (E_RNA)
where:
Base-Base interactions energy: -1716.212
where: short stacking energy: -728.176
Base-Backbone interact. energy: -3.224
local terms energy: -826.281462
where:
bonds (distance) C4'-P energy: -151.575
bonds (distance) P-C4' energy: -160.038
flat angles C4'-P-C4' energy: -179.683
flat angles P-C4'-P energy: -118.568
tors. eta vs tors. theta energy: -216.418
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: 5, replica: 4
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -2381.920053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.920053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.832299 (E_RNA)
where:
Base-Base interactions energy: -1622.291
where: short stacking energy: -689.234
Base-Backbone interact. energy: 2.183
local terms energy: -763.724158
where:
bonds (distance) C4'-P energy: -135.433
bonds (distance) P-C4' energy: -161.927
flat angles C4'-P-C4' energy: -158.139
flat angles P-C4'-P energy: -114.623
tors. eta vs tors. theta energy: -193.602
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: 6, replica: 6
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -2270.418262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.418262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.414575 (E_RNA)
where:
Base-Base interactions energy: -1527.760
where: short stacking energy: -648.200
Base-Backbone interact. energy: 1.710
local terms energy: -747.364946
where:
bonds (distance) C4'-P energy: -141.716
bonds (distance) P-C4' energy: -153.494
flat angles C4'-P-C4' energy: -164.522
flat angles P-C4'-P energy: -111.958
tors. eta vs tors. theta energy: -175.675
Dist. restrs. and SS energy: 2.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -2192.236176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.236176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.134720 (E_RNA)
where:
Base-Base interactions energy: -1469.612
where: short stacking energy: -616.006
Base-Backbone interact. energy: 0.335
local terms energy: -725.857844
where:
bonds (distance) C4'-P energy: -134.937
bonds (distance) P-C4' energy: -145.038
flat angles C4'-P-C4' energy: -159.332
flat angles P-C4'-P energy: -108.246
tors. eta vs tors. theta energy: -178.304
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: 8, replica: 8
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -2020.913032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.913032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.469035 (E_RNA)
where:
Base-Base interactions energy: -1353.285
where: short stacking energy: -587.627
Base-Backbone interact. energy: 5.382
local terms energy: -675.566794
where:
bonds (distance) C4'-P energy: -143.167
bonds (distance) P-C4' energy: -146.082
flat angles C4'-P-C4' energy: -147.121
flat angles P-C4'-P energy: -87.294
tors. eta vs tors. theta energy: -151.903
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: 3
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -1936.466486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.466486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.825682 (E_RNA)
where:
Base-Base interactions energy: -1307.676
where: short stacking energy: -558.097
Base-Backbone interact. energy: 2.301
local terms energy: -634.450147
where:
bonds (distance) C4'-P energy: -119.871
bonds (distance) P-C4' energy: -121.214
flat angles C4'-P-C4' energy: -156.790
flat angles P-C4'-P energy: -95.703
tors. eta vs tors. theta energy: -140.873
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: 10, replica: 5
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -1838.559511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.559511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.970095 (E_RNA)
where:
Base-Base interactions energy: -1258.927
where: short stacking energy: -525.931
Base-Backbone interact. energy: 3.748
local terms energy: -586.791446
where:
bonds (distance) C4'-P energy: -115.724
bonds (distance) P-C4' energy: -111.494
flat angles C4'-P-C4' energy: -119.732
flat angles P-C4'-P energy: -92.558
tors. eta vs tors. theta energy: -147.284
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: 1, replica: 9
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -2922.520528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2922.520528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2925.060397 (E_RNA)
where:
Base-Base interactions energy: -2022.569
where: short stacking energy: -849.310
Base-Backbone interact. energy: -1.459
local terms energy: -901.032385
where:
bonds (distance) C4'-P energy: -157.928
bonds (distance) P-C4' energy: -161.607
flat angles C4'-P-C4' energy: -195.469
flat angles P-C4'-P energy: -124.264
tors. eta vs tors. theta energy: -261.764
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: 2, replica: 10
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -2781.667580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.667580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.523328 (E_RNA)
where:
Base-Base interactions energy: -1933.643
where: short stacking energy: -797.009
Base-Backbone interact. energy: -4.011
local terms energy: -845.869256
where:
bonds (distance) C4'-P energy: -156.092
bonds (distance) P-C4' energy: -173.870
flat angles C4'-P-C4' energy: -175.941
flat angles P-C4'-P energy: -119.241
tors. eta vs tors. theta energy: -220.726
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: 3, replica: 7
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -2675.837323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.837323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.391557 (E_RNA)
where:
Base-Base interactions energy: -1861.649
where: short stacking energy: -797.815
Base-Backbone interact. energy: -3.681
local terms energy: -813.061297
where:
bonds (distance) C4'-P energy: -137.940
bonds (distance) P-C4' energy: -155.702
flat angles C4'-P-C4' energy: -178.148
flat angles P-C4'-P energy: -104.537
tors. eta vs tors. theta energy: -236.733
Dist. restrs. and SS energy: 2.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -2517.407489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.407489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.960321 (E_RNA)
where:
Base-Base interactions energy: -1726.497
where: short stacking energy: -741.166
Base-Backbone interact. energy: 1.154
local terms energy: -794.617140
where:
bonds (distance) C4'-P energy: -148.814
bonds (distance) P-C4' energy: -156.661
flat angles C4'-P-C4' energy: -158.994
flat angles P-C4'-P energy: -110.667
tors. eta vs tors. theta energy: -219.481
Dist. restrs. and SS energy: 2.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -2417.064308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.064308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.648689 (E_RNA)
where:
Base-Base interactions energy: -1650.435
where: short stacking energy: -712.404
Base-Backbone interact. energy: -3.214
local terms energy: -764.999218
where:
bonds (distance) C4'-P energy: -147.296
bonds (distance) P-C4' energy: -135.431
flat angles C4'-P-C4' energy: -170.681
flat angles P-C4'-P energy: -100.215
tors. eta vs tors. theta energy: -211.376
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: 6, replica: 1
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -2259.834029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.834029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.026939 (E_RNA)
where:
Base-Base interactions energy: -1551.089
where: short stacking energy: -657.438
Base-Backbone interact. energy: -1.213
local terms energy: -709.725713
where:
bonds (distance) C4'-P energy: -129.970
bonds (distance) P-C4' energy: -141.066
flat angles C4'-P-C4' energy: -155.619
flat angles P-C4'-P energy: -105.714
tors. eta vs tors. theta energy: -177.356
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: 7, replica: 6
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -2183.271121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.271121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.707241 (E_RNA)
where:
Base-Base interactions energy: -1497.398
where: short stacking energy: -609.254
Base-Backbone interact. energy: -5.412
local terms energy: -681.897841
where:
bonds (distance) C4'-P energy: -137.382
bonds (distance) P-C4' energy: -142.180
flat angles C4'-P-C4' energy: -144.171
flat angles P-C4'-P energy: -95.739
tors. eta vs tors. theta energy: -162.426
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: 8, replica: 8
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -2016.198058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.198058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.595452 (E_RNA)
where:
Base-Base interactions energy: -1369.158
where: short stacking energy: -579.699
Base-Backbone interact. energy: 6.114
local terms energy: -656.550600
where:
bonds (distance) C4'-P energy: -115.788
bonds (distance) P-C4' energy: -143.121
flat angles C4'-P-C4' energy: -143.798
flat angles P-C4'-P energy: -94.335
tors. eta vs tors. theta energy: -159.509
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: 9, replica: 3
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -1965.849217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.849217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.344780 (E_RNA)
where:
Base-Base interactions energy: -1306.011
where: short stacking energy: -577.030
Base-Backbone interact. energy: -0.743
local terms energy: -661.590890
where:
bonds (distance) C4'-P energy: -113.590
bonds (distance) P-C4' energy: -154.387
flat angles C4'-P-C4' energy: -166.324
flat angles P-C4'-P energy: -78.062
tors. eta vs tors. theta energy: -149.228
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: 10, replica: 5
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -1847.193405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.193405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.251820 (E_RNA)
where:
Base-Base interactions energy: -1258.258
where: short stacking energy: -492.316
Base-Backbone interact. energy: 0.790
local terms energy: -593.783604
where:
bonds (distance) C4'-P energy: -134.984
bonds (distance) P-C4' energy: -130.194
flat angles C4'-P-C4' energy: -114.201
flat angles P-C4'-P energy: -93.426
tors. eta vs tors. theta energy: -120.978
Dist. restrs. and SS energy: 4.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -2885.305448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2885.305448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2888.010003 (E_RNA)
where:
Base-Base interactions energy: -1978.493
where: short stacking energy: -841.881
Base-Backbone interact. energy: 0.680
local terms energy: -910.196907
where:
bonds (distance) C4'-P energy: -158.760
bonds (distance) P-C4' energy: -171.557
flat angles C4'-P-C4' energy: -191.009
flat angles P-C4'-P energy: -135.801
tors. eta vs tors. theta energy: -253.070
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: 2, replica: 10
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -2784.846438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.846438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.595742 (E_RNA)
where:
Base-Base interactions energy: -1942.066
where: short stacking energy: -824.651
Base-Backbone interact. energy: -2.728
local terms energy: -841.802304
where:
bonds (distance) C4'-P energy: -149.939
bonds (distance) P-C4' energy: -155.965
flat angles C4'-P-C4' energy: -173.324
flat angles P-C4'-P energy: -123.543
tors. eta vs tors. theta energy: -239.031
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: 3, replica: 7
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -2731.064699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.064699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.620797 (E_RNA)
where:
Base-Base interactions energy: -1880.965
where: short stacking energy: -786.201
Base-Backbone interact. energy: 3.033
local terms energy: -854.688559
where:
bonds (distance) C4'-P energy: -149.329
bonds (distance) P-C4' energy: -154.542
flat angles C4'-P-C4' energy: -198.517
flat angles P-C4'-P energy: -120.370
tors. eta vs tors. theta energy: -231.930
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: 4, replica: 2
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -2481.313931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.313931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.813553 (E_RNA)
where:
Base-Base interactions energy: -1703.469
where: short stacking energy: -719.862
Base-Backbone interact. energy: 1.702
local terms energy: -783.046714
where:
bonds (distance) C4'-P energy: -147.025
bonds (distance) P-C4' energy: -150.621
flat angles C4'-P-C4' energy: -170.806
flat angles P-C4'-P energy: -108.953
tors. eta vs tors. theta energy: -205.640
Dist. restrs. and SS energy: 3.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -2401.539601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.539601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.901200 (E_RNA)
where:
Base-Base interactions energy: -1630.635
where: short stacking energy: -725.581
Base-Backbone interact. energy: -3.927
local terms energy: -770.339256
where:
bonds (distance) C4'-P energy: -143.901
bonds (distance) P-C4' energy: -140.268
flat angles C4'-P-C4' energy: -172.859
flat angles P-C4'-P energy: -95.018
tors. eta vs tors. theta energy: -218.293
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: 6, replica: 1
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -2263.790379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.790379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.432089 (E_RNA)
where:
Base-Base interactions energy: -1534.567
where: short stacking energy: -662.302
Base-Backbone interact. energy: 0.099
local terms energy: -731.963543
where:
bonds (distance) C4'-P energy: -145.224
bonds (distance) P-C4' energy: -122.502
flat angles C4'-P-C4' energy: -178.755
flat angles P-C4'-P energy: -100.119
tors. eta vs tors. theta energy: -185.363
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: 7, replica: 6
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -2178.734302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.734302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.870067 (E_RNA)
where:
Base-Base interactions energy: -1510.833
where: short stacking energy: -626.700
Base-Backbone interact. energy: -0.899
local terms energy: -669.137435
where:
bonds (distance) C4'-P energy: -140.500
bonds (distance) P-C4' energy: -121.970
flat angles C4'-P-C4' energy: -143.627
flat angles P-C4'-P energy: -89.268
tors. eta vs tors. theta energy: -173.772
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: 8, replica: 8
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -1971.618820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.618820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.332867 (E_RNA)
where:
Base-Base interactions energy: -1351.506
where: short stacking energy: -562.381
Base-Backbone interact. energy: 13.659
local terms energy: -639.486040
where:
bonds (distance) C4'-P energy: -118.523
bonds (distance) P-C4' energy: -136.239
flat angles C4'-P-C4' energy: -155.974
flat angles P-C4'-P energy: -83.097
tors. eta vs tors. theta energy: -145.653
Dist. restrs. and SS energy: 5.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -1939.460207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.460207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.135723 (E_RNA)
where:
Base-Base interactions energy: -1284.784
where: short stacking energy: -552.827
Base-Backbone interact. energy: 5.344
local terms energy: -662.695273
where:
bonds (distance) C4'-P energy: -108.662
bonds (distance) P-C4' energy: -156.834
flat angles C4'-P-C4' energy: -159.435
flat angles P-C4'-P energy: -85.882
tors. eta vs tors. theta energy: -151.883
Dist. restrs. and SS energy: 2.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -1790.228008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.228008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.813532 (E_RNA)
where:
Base-Base interactions energy: -1192.398
where: short stacking energy: -498.331
Base-Backbone interact. energy: -2.340
local terms energy: -603.076016
where:
bonds (distance) C4'-P energy: -137.877
bonds (distance) P-C4' energy: -141.752
flat angles C4'-P-C4' energy: -136.753
flat angles P-C4'-P energy: -66.932
tors. eta vs tors. theta energy: -119.762
Dist. restrs. and SS energy: 7.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -2875.634737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2875.634737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2877.671046 (E_RNA)
where:
Base-Base interactions energy: -1987.152
where: short stacking energy: -842.583
Base-Backbone interact. energy: -5.398
local terms energy: -885.120470
where:
bonds (distance) C4'-P energy: -168.555
bonds (distance) P-C4' energy: -150.068
flat angles C4'-P-C4' energy: -188.948
flat angles P-C4'-P energy: -128.919
tors. eta vs tors. theta energy: -248.631
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: 2, replica: 10
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -2801.392323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.392323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.443840 (E_RNA)
where:
Base-Base interactions energy: -1960.602
where: short stacking energy: -813.673
Base-Backbone interact. energy: 0.318
local terms energy: -843.160001
where:
bonds (distance) C4'-P energy: -161.598
bonds (distance) P-C4' energy: -173.062
flat angles C4'-P-C4' energy: -172.326
flat angles P-C4'-P energy: -103.518
tors. eta vs tors. theta energy: -232.656
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: 3, replica: 7
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -2688.083062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.083062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.595861 (E_RNA)
where:
Base-Base interactions energy: -1886.706
where: short stacking energy: -775.530
Base-Backbone interact. energy: -3.434
local terms energy: -799.455333
where:
bonds (distance) C4'-P energy: -147.382
bonds (distance) P-C4' energy: -147.398
flat angles C4'-P-C4' energy: -171.672
flat angles P-C4'-P energy: -114.340
tors. eta vs tors. theta energy: -218.662
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: 4, replica: 2
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -2468.356744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.356744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.309448 (E_RNA)
where:
Base-Base interactions energy: -1688.357
where: short stacking energy: -729.863
Base-Backbone interact. energy: 4.599
local terms energy: -787.550515
where:
bonds (distance) C4'-P energy: -138.386
bonds (distance) P-C4' energy: -164.141
flat angles C4'-P-C4' energy: -164.623
flat angles P-C4'-P energy: -117.583
tors. eta vs tors. theta energy: -202.818
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: 5, replica: 4
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -2398.269194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.269194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.216834 (E_RNA)
where:
Base-Base interactions energy: -1611.355
where: short stacking energy: -708.222
Base-Backbone interact. energy: 0.561
local terms energy: -790.423057
where:
bonds (distance) C4'-P energy: -141.534
bonds (distance) P-C4' energy: -146.848
flat angles C4'-P-C4' energy: -172.092
flat angles P-C4'-P energy: -113.143
tors. eta vs tors. theta energy: -216.805
Dist. restrs. and SS energy: 2.948 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -2287.348650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.348650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.403527 (E_RNA)
where:
Base-Base interactions energy: -1591.768
where: short stacking energy: -666.572
Base-Backbone interact. energy: -3.359
local terms energy: -696.276069
where:
bonds (distance) C4'-P energy: -116.686
bonds (distance) P-C4' energy: -137.202
flat angles C4'-P-C4' energy: -162.290
flat angles P-C4'-P energy: -93.044
tors. eta vs tors. theta energy: -187.054
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: 7, replica: 6
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -2201.399064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.399064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.113437 (E_RNA)
where:
Base-Base interactions energy: -1494.495
where: short stacking energy: -655.626
Base-Backbone interact. energy: -3.207
local terms energy: -706.411590
where:
bonds (distance) C4'-P energy: -132.218
bonds (distance) P-C4' energy: -150.464
flat angles C4'-P-C4' energy: -147.892
flat angles P-C4'-P energy: -94.938
tors. eta vs tors. theta energy: -180.899
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: 8
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -2016.075054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.075054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.000085 (E_RNA)
where:
Base-Base interactions energy: -1372.800
where: short stacking energy: -591.480
Base-Backbone interact. energy: 1.141
local terms energy: -646.341310
where:
bonds (distance) C4'-P energy: -140.457
bonds (distance) P-C4' energy: -101.866
flat angles C4'-P-C4' energy: -145.906
flat angles P-C4'-P energy: -97.461
tors. eta vs tors. theta energy: -160.652
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: 9, replica: 3
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -1961.941786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.941786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.307628 (E_RNA)
where:
Base-Base interactions energy: -1359.562
where: short stacking energy: -583.969
Base-Backbone interact. energy: 0.444
local terms energy: -607.189377
where:
bonds (distance) C4'-P energy: -106.181
bonds (distance) P-C4' energy: -125.474
flat angles C4'-P-C4' energy: -144.375
flat angles P-C4'-P energy: -74.405
tors. eta vs tors. theta energy: -156.755
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: 10, replica: 5
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -1813.975024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.975024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.719106 (E_RNA)
where:
Base-Base interactions energy: -1213.286
where: short stacking energy: -494.917
Base-Backbone interact. energy: -2.717
local terms energy: -601.716439
where:
bonds (distance) C4'-P energy: -101.015
bonds (distance) P-C4' energy: -120.104
flat angles C4'-P-C4' energy: -154.842
flat angles P-C4'-P energy: -85.361
tors. eta vs tors. theta energy: -140.394
Dist. restrs. and SS energy: 3.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -2874.857356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2874.857356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2876.938424 (E_RNA)
where:
Base-Base interactions energy: -2005.594
where: short stacking energy: -859.430
Base-Backbone interact. energy: 1.930
local terms energy: -873.274461
where:
bonds (distance) C4'-P energy: -135.944
bonds (distance) P-C4' energy: -172.733
flat angles C4'-P-C4' energy: -180.148
flat angles P-C4'-P energy: -126.924
tors. eta vs tors. theta energy: -257.525
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: 2, replica: 10
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -2782.902430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.902430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.469718 (E_RNA)
where:
Base-Base interactions energy: -1930.914
where: short stacking energy: -820.053
Base-Backbone interact. energy: -0.416
local terms energy: -853.139444
where:
bonds (distance) C4'-P energy: -143.755
bonds (distance) P-C4' energy: -154.221
flat angles C4'-P-C4' energy: -184.205
flat angles P-C4'-P energy: -134.980
tors. eta vs tors. theta energy: -235.978
Dist. restrs. and SS energy: 1.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -2699.420480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.420480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.345348 (E_RNA)
where:
Base-Base interactions energy: -1882.263
where: short stacking energy: -801.511
Base-Backbone interact. energy: -3.122
local terms energy: -815.960029
where:
bonds (distance) C4'-P energy: -143.002
bonds (distance) P-C4' energy: -152.968
flat angles C4'-P-C4' energy: -174.799
flat angles P-C4'-P energy: -121.133
tors. eta vs tors. theta energy: -224.057
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: 4, replica: 2
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -2494.711159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.711159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.097278 (E_RNA)
where:
Base-Base interactions energy: -1725.837
where: short stacking energy: -727.222
Base-Backbone interact. energy: -2.018
local terms energy: -770.242178
where:
bonds (distance) C4'-P energy: -139.384
bonds (distance) P-C4' energy: -142.092
flat angles C4'-P-C4' energy: -177.621
flat angles P-C4'-P energy: -106.375
tors. eta vs tors. theta energy: -204.770
Dist. restrs. and SS energy: 3.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -2398.424472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.424472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.963935 (E_RNA)
where:
Base-Base interactions energy: -1648.881
where: short stacking energy: -716.084
Base-Backbone interact. energy: 1.769
local terms energy: -752.852239
where:
bonds (distance) C4'-P energy: -132.599
bonds (distance) P-C4' energy: -134.343
flat angles C4'-P-C4' energy: -163.066
flat angles P-C4'-P energy: -107.810
tors. eta vs tors. theta energy: -215.034
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: 6, replica: 1
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -2275.896543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.896543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.498058 (E_RNA)
where:
Base-Base interactions energy: -1586.409
where: short stacking energy: -658.610
Base-Backbone interact. energy: -0.402
local terms energy: -691.686744
where:
bonds (distance) C4'-P energy: -113.859
bonds (distance) P-C4' energy: -139.999
flat angles C4'-P-C4' energy: -163.964
flat angles P-C4'-P energy: -89.217
tors. eta vs tors. theta energy: -184.647
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: 6
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -2147.245580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.245580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.883589 (E_RNA)
where:
Base-Base interactions energy: -1472.098
where: short stacking energy: -595.219
Base-Backbone interact. energy: 0.289
local terms energy: -677.074420
where:
bonds (distance) C4'-P energy: -130.374
bonds (distance) P-C4' energy: -128.680
flat angles C4'-P-C4' energy: -158.125
flat angles P-C4'-P energy: -85.370
tors. eta vs tors. theta energy: -174.524
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: 8, replica: 8
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -1996.456213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.456213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.112818 (E_RNA)
where:
Base-Base interactions energy: -1374.785
where: short stacking energy: -590.677
Base-Backbone interact. energy: -1.882
local terms energy: -621.445823
where:
bonds (distance) C4'-P energy: -114.903
bonds (distance) P-C4' energy: -120.772
flat angles C4'-P-C4' energy: -134.727
flat angles P-C4'-P energy: -101.952
tors. eta vs tors. theta energy: -149.092
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: 9, replica: 3
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -1936.722171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.722171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.400494 (E_RNA)
where:
Base-Base interactions energy: -1318.902
where: short stacking energy: -547.186
Base-Backbone interact. energy: -1.441
local terms energy: -618.057671
where:
bonds (distance) C4'-P energy: -127.096
bonds (distance) P-C4' energy: -112.300
flat angles C4'-P-C4' energy: -145.415
flat angles P-C4'-P energy: -88.562
tors. eta vs tors. theta energy: -144.684
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: 10, replica: 5
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -1883.319097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.319097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.600490 (E_RNA)
where:
Base-Base interactions energy: -1280.524
where: short stacking energy: -535.888
Base-Backbone interact. energy: -3.453
local terms energy: -603.623304
where:
bonds (distance) C4'-P energy: -110.741
bonds (distance) P-C4' energy: -112.722
flat angles C4'-P-C4' energy: -136.994
flat angles P-C4'-P energy: -106.909
tors. eta vs tors. theta energy: -136.256
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: 1, replica: 9
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -2876.272823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2876.272823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2878.336110 (E_RNA)
where:
Base-Base interactions energy: -1989.695
where: short stacking energy: -864.770
Base-Backbone interact. energy: 3.166
local terms energy: -891.807030
where:
bonds (distance) C4'-P energy: -155.203
bonds (distance) P-C4' energy: -162.846
flat angles C4'-P-C4' energy: -190.640
flat angles P-C4'-P energy: -132.466
tors. eta vs tors. theta energy: -250.652
Dist. restrs. and SS energy: 2.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -2818.838675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.838675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.267905 (E_RNA)
where:
Base-Base interactions energy: -1960.524
where: short stacking energy: -816.739
Base-Backbone interact. energy: -1.923
local terms energy: -858.820513
where:
bonds (distance) C4'-P energy: -151.640
bonds (distance) P-C4' energy: -165.751
flat angles C4'-P-C4' energy: -174.837
flat angles P-C4'-P energy: -123.803
tors. eta vs tors. theta energy: -242.790
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: 3, replica: 7
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -2661.129165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.129165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.651895 (E_RNA)
where:
Base-Base interactions energy: -1869.999
where: short stacking energy: -770.638
Base-Backbone interact. energy: -4.217
local terms energy: -788.436362
where:
bonds (distance) C4'-P energy: -119.454
bonds (distance) P-C4' energy: -158.634
flat angles C4'-P-C4' energy: -169.295
flat angles P-C4'-P energy: -127.530
tors. eta vs tors. theta energy: -213.524
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: 2
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -2509.152885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.152885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.415932 (E_RNA)
where:
Base-Base interactions energy: -1703.657
where: short stacking energy: -725.240
Base-Backbone interact. energy: -1.384
local terms energy: -807.375086
where:
bonds (distance) C4'-P energy: -151.420
bonds (distance) P-C4' energy: -157.325
flat angles C4'-P-C4' energy: -178.295
flat angles P-C4'-P energy: -110.809
tors. eta vs tors. theta energy: -209.526
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: 4
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -2354.104886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.104886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.990284 (E_RNA)
where:
Base-Base interactions energy: -1623.196
where: short stacking energy: -688.543
Base-Backbone interact. energy: 1.046
local terms energy: -732.841020
where:
bonds (distance) C4'-P energy: -140.136
bonds (distance) P-C4' energy: -123.493
flat angles C4'-P-C4' energy: -166.860
flat angles P-C4'-P energy: -100.520
tors. eta vs tors. theta energy: -201.832
Dist. restrs. and SS energy: 0.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -2250.730181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.730181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.244070 (E_RNA)
where:
Base-Base interactions energy: -1524.892
where: short stacking energy: -647.686
Base-Backbone interact. energy: -1.677
local terms energy: -726.675110
where:
bonds (distance) C4'-P energy: -144.950
bonds (distance) P-C4' energy: -148.318
flat angles C4'-P-C4' energy: -155.018
flat angles P-C4'-P energy: -100.017
tors. eta vs tors. theta energy: -178.373
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: 7, replica: 6
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -2162.637497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.637497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.925739 (E_RNA)
where:
Base-Base interactions energy: -1456.973
where: short stacking energy: -620.265
Base-Backbone interact. energy: -0.105
local terms energy: -707.848022
where:
bonds (distance) C4'-P energy: -141.033
bonds (distance) P-C4' energy: -141.269
flat angles C4'-P-C4' energy: -158.526
flat angles P-C4'-P energy: -105.725
tors. eta vs tors. theta energy: -161.295
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: 3
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -1998.062292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.062292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.586778 (E_RNA)
where:
Base-Base interactions energy: -1348.339
where: short stacking energy: -556.225
Base-Backbone interact. energy: 0.147
local terms energy: -654.394328
where:
bonds (distance) C4'-P energy: -145.877
bonds (distance) P-C4' energy: -137.856
flat angles C4'-P-C4' energy: -137.087
flat angles P-C4'-P energy: -84.980
tors. eta vs tors. theta energy: -148.594
Dist. restrs. and SS energy: 4.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -1917.531534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.531534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.740302 (E_RNA)
where:
Base-Base interactions energy: -1316.661
where: short stacking energy: -555.921
Base-Backbone interact. energy: 2.017
local terms energy: -607.096916
where:
bonds (distance) C4'-P energy: -127.198
bonds (distance) P-C4' energy: -122.227
flat angles C4'-P-C4' energy: -124.822
flat angles P-C4'-P energy: -89.632
tors. eta vs tors. theta energy: -143.218
Dist. restrs. and SS energy: 4.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -1868.816622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.816622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.518195 (E_RNA)
where:
Base-Base interactions energy: -1250.452
where: short stacking energy: -510.405
Base-Backbone interact. energy: 1.444
local terms energy: -623.510241
where:
bonds (distance) C4'-P energy: -130.140
bonds (distance) P-C4' energy: -126.381
flat angles C4'-P-C4' energy: -131.911
flat angles P-C4'-P energy: -97.488
tors. eta vs tors. theta energy: -137.590
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: 1, replica: 10
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -2851.443976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2851.443976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2852.638270 (E_RNA)
where:
Base-Base interactions energy: -1982.925
where: short stacking energy: -843.977
Base-Backbone interact. energy: -3.906
local terms energy: -865.806794
where:
bonds (distance) C4'-P energy: -159.503
bonds (distance) P-C4' energy: -164.593
flat angles C4'-P-C4' energy: -179.573
flat angles P-C4'-P energy: -117.869
tors. eta vs tors. theta energy: -244.270
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: 2, replica: 9
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -2784.649628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.649628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.801934 (E_RNA)
where:
Base-Base interactions energy: -1941.224
where: short stacking energy: -818.663
Base-Backbone interact. energy: -2.300
local terms energy: -843.277169
where:
bonds (distance) C4'-P energy: -140.208
bonds (distance) P-C4' energy: -144.156
flat angles C4'-P-C4' energy: -191.632
flat angles P-C4'-P energy: -123.798
tors. eta vs tors. theta energy: -243.484
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: 3, replica: 7
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -2675.549264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.549264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.418660 (E_RNA)
where:
Base-Base interactions energy: -1867.687
where: short stacking energy: -758.066
Base-Backbone interact. energy: -1.166
local terms energy: -808.564713
where:
bonds (distance) C4'-P energy: -147.133
bonds (distance) P-C4' energy: -164.713
flat angles C4'-P-C4' energy: -171.790
flat angles P-C4'-P energy: -112.759
tors. eta vs tors. theta energy: -212.170
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: 4, replica: 2
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -2505.366281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.366281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.173071 (E_RNA)
where:
Base-Base interactions energy: -1718.804
where: short stacking energy: -721.840
Base-Backbone interact. energy: -2.686
local terms energy: -786.683090
where:
bonds (distance) C4'-P energy: -139.264
bonds (distance) P-C4' energy: -143.904
flat angles C4'-P-C4' energy: -175.864
flat angles P-C4'-P energy: -113.208
tors. eta vs tors. theta energy: -214.444
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: 5, replica: 4
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -2351.136385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.136385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.509903 (E_RNA)
where:
Base-Base interactions energy: -1580.313
where: short stacking energy: -686.683
Base-Backbone interact. energy: -4.570
local terms energy: -769.627085
where:
bonds (distance) C4'-P energy: -145.152
bonds (distance) P-C4' energy: -152.845
flat angles C4'-P-C4' energy: -151.850
flat angles P-C4'-P energy: -117.714
tors. eta vs tors. theta energy: -202.065
Dist. restrs. and SS energy: 3.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -2273.788806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.788806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.082606 (E_RNA)
where:
Base-Base interactions energy: -1557.081
where: short stacking energy: -640.052
Base-Backbone interact. energy: 7.789
local terms energy: -728.791423
where:
bonds (distance) C4'-P energy: -125.523
bonds (distance) P-C4' energy: -160.340
flat angles C4'-P-C4' energy: -161.991
flat angles P-C4'-P energy: -97.172
tors. eta vs tors. theta energy: -183.765
Dist. restrs. and SS energy: 4.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -2159.188583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.188583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.141323 (E_RNA)
where:
Base-Base interactions energy: -1452.572
where: short stacking energy: -628.272
Base-Backbone interact. energy: 2.244
local terms energy: -711.813924
where:
bonds (distance) C4'-P energy: -138.543
bonds (distance) P-C4' energy: -152.024
flat angles C4'-P-C4' energy: -152.280
flat angles P-C4'-P energy: -100.058
tors. eta vs tors. theta energy: -168.909
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: 8, replica: 3
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -2039.328027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.328027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.971067 (E_RNA)
where:
Base-Base interactions energy: -1402.484
where: short stacking energy: -575.822
Base-Backbone interact. energy: -3.696
local terms energy: -634.791496
where:
bonds (distance) C4'-P energy: -126.973
bonds (distance) P-C4' energy: -145.982
flat angles C4'-P-C4' energy: -144.024
flat angles P-C4'-P energy: -80.140
tors. eta vs tors. theta energy: -137.672
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: 9, replica: 5
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -1909.963828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.963828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.618946 (E_RNA)
where:
Base-Base interactions energy: -1316.549
where: short stacking energy: -538.603
Base-Backbone interact. energy: 2.982
local terms energy: -599.052461
where:
bonds (distance) C4'-P energy: -123.555
bonds (distance) P-C4' energy: -122.771
flat angles C4'-P-C4' energy: -148.601
flat angles P-C4'-P energy: -73.582
tors. eta vs tors. theta energy: -130.544
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: 10, replica: 8
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -1838.267987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.267987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.111778 (E_RNA)
where:
Base-Base interactions energy: -1251.717
where: short stacking energy: -526.787
Base-Backbone interact. energy: 1.435
local terms energy: -591.829404
where:
bonds (distance) C4'-P energy: -119.101
bonds (distance) P-C4' energy: -129.509
flat angles C4'-P-C4' energy: -125.854
flat angles P-C4'-P energy: -80.044
tors. eta vs tors. theta energy: -137.323
Dist. restrs. and SS energy: 3.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -2852.604784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2852.604784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2854.171968 (E_RNA)
where:
Base-Base interactions energy: -1967.575
where: short stacking energy: -830.697
Base-Backbone interact. energy: -0.821
local terms energy: -885.775959
where:
bonds (distance) C4'-P energy: -145.193
bonds (distance) P-C4' energy: -172.518
flat angles C4'-P-C4' energy: -183.694
flat angles P-C4'-P energy: -139.478
tors. eta vs tors. theta energy: -244.893
Dist. restrs. and SS energy: 1.567 (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: 289
Temperature: 0.950000
Total energy: -2777.794810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.794810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.570508 (E_RNA)
where:
Base-Base interactions energy: -1892.959
where: short stacking energy: -810.701
Base-Backbone interact. energy: -3.967
local terms energy: -882.644520
where:
bonds (distance) C4'-P energy: -156.370
bonds (distance) P-C4' energy: -153.806
flat angles C4'-P-C4' energy: -186.505
flat angles P-C4'-P energy: -135.112
tors. eta vs tors. theta energy: -250.851
Dist. restrs. and SS energy: 1.776 (S_DIST_RNA)
chem. 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: -2657.639076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.639076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.037643 (E_RNA)
where:
Base-Base interactions energy: -1862.948
where: short stacking energy: -769.036
Base-Backbone interact. energy: 3.099
local terms energy: -799.188712
where:
bonds (distance) C4'-P energy: -154.935
bonds (distance) P-C4' energy: -161.844
flat angles C4'-P-C4' energy: -171.279
flat angles P-C4'-P energy: -101.987
tors. eta vs tors. theta energy: -209.143
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: 4, replica: 2
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -2497.045951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.045951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.180644 (E_RNA)
where:
Base-Base interactions energy: -1678.744
where: short stacking energy: -740.328
Base-Backbone interact. energy: 2.373
local terms energy: -823.809573
where:
bonds (distance) C4'-P energy: -163.960
bonds (distance) P-C4' energy: -148.178
flat angles C4'-P-C4' energy: -176.079
flat angles P-C4'-P energy: -118.585
tors. eta vs tors. theta energy: -217.008
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: 5, replica: 4
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -2358.290977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.290977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.257498 (E_RNA)
where:
Base-Base interactions energy: -1597.903
where: short stacking energy: -693.552
Base-Backbone interact. energy: -1.931
local terms energy: -760.423987
where:
bonds (distance) C4'-P energy: -127.120
bonds (distance) P-C4' energy: -151.962
flat angles C4'-P-C4' energy: -163.227
flat angles P-C4'-P energy: -106.419
tors. eta vs tors. theta energy: -211.696
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: 6, replica: 1
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -2255.691644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.691644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.749920 (E_RNA)
where:
Base-Base interactions energy: -1513.667
where: short stacking energy: -662.962
Base-Backbone interact. energy: -3.907
local terms energy: -740.175605
where:
bonds (distance) C4'-P energy: -129.611
bonds (distance) P-C4' energy: -155.491
flat angles C4'-P-C4' energy: -162.982
flat angles P-C4'-P energy: -104.044
tors. eta vs tors. theta energy: -188.048
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: 7, replica: 6
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -2226.529844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.529844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.220635 (E_RNA)
where:
Base-Base interactions energy: -1499.021
where: short stacking energy: -653.755
Base-Backbone interact. energy: -2.238
local terms energy: -727.961450
where:
bonds (distance) C4'-P energy: -150.588
bonds (distance) P-C4' energy: -139.598
flat angles C4'-P-C4' energy: -168.608
flat angles P-C4'-P energy: -92.933
tors. eta vs tors. theta energy: -176.235
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: 8, replica: 3
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -1990.248417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.248417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.813843 (E_RNA)
where:
Base-Base interactions energy: -1343.244
where: short stacking energy: -561.377
Base-Backbone interact. energy: -1.358
local terms energy: -647.211715
where:
bonds (distance) C4'-P energy: -131.490
bonds (distance) P-C4' energy: -130.415
flat angles C4'-P-C4' energy: -133.678
flat angles P-C4'-P energy: -103.450
tors. eta vs tors. theta energy: -148.178
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: 9, replica: 5
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -1874.390418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.390418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.285247 (E_RNA)
where:
Base-Base interactions energy: -1294.068
where: short stacking energy: -545.315
Base-Backbone interact. energy: 2.284
local terms energy: -584.501952
where:
bonds (distance) C4'-P energy: -151.768
bonds (distance) P-C4' energy: -113.657
flat angles C4'-P-C4' energy: -115.111
flat angles P-C4'-P energy: -81.847
tors. eta vs tors. theta energy: -122.119
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: 10, replica: 8
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -1866.481183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.481183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.750017 (E_RNA)
where:
Base-Base interactions energy: -1248.812
where: short stacking energy: -525.573
Base-Backbone interact. energy: -1.701
local terms energy: -619.237326
where:
bonds (distance) C4'-P energy: -117.808
bonds (distance) P-C4' energy: -139.175
flat angles C4'-P-C4' energy: -132.303
flat angles P-C4'-P energy: -95.417
tors. eta vs tors. theta energy: -134.533
Dist. restrs. and SS energy: 3.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -2887.477484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2887.477484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2888.626655 (E_RNA)
where:
Base-Base interactions energy: -1986.462
where: short stacking energy: -824.765
Base-Backbone interact. energy: -4.179
local terms energy: -897.986347
where:
bonds (distance) C4'-P energy: -155.343
bonds (distance) P-C4' energy: -173.559
flat angles C4'-P-C4' energy: -185.813
flat angles P-C4'-P energy: -138.348
tors. eta vs tors. theta energy: -244.924
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: 2, replica: 9
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -2790.046703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.046703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.956805 (E_RNA)
where:
Base-Base interactions energy: -1924.329
where: short stacking energy: -823.606
Base-Backbone interact. energy: -3.142
local terms energy: -865.486250
where:
bonds (distance) C4'-P energy: -152.311
bonds (distance) P-C4' energy: -150.186
flat angles C4'-P-C4' energy: -194.919
flat angles P-C4'-P energy: -117.546
tors. eta vs tors. theta energy: -250.525
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: 3, replica: 7
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -2680.479740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.479740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.222474 (E_RNA)
where:
Base-Base interactions energy: -1878.879
where: short stacking energy: -791.922
Base-Backbone interact. energy: 1.906
local terms energy: -805.249571
where:
bonds (distance) C4'-P energy: -134.429
bonds (distance) P-C4' energy: -148.507
flat angles C4'-P-C4' energy: -188.075
flat angles P-C4'-P energy: -106.884
tors. eta vs tors. theta energy: -227.354
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: 4, replica: 2
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -2524.734453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.734453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.628907 (E_RNA)
where:
Base-Base interactions energy: -1700.607
where: short stacking energy: -722.885
Base-Backbone interact. energy: -0.766
local terms energy: -825.256051
where:
bonds (distance) C4'-P energy: -151.138
bonds (distance) P-C4' energy: -163.699
flat angles C4'-P-C4' energy: -180.119
flat angles P-C4'-P energy: -106.951
tors. eta vs tors. theta energy: -223.349
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: 5, replica: 4
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -2351.558483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.558483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.549683 (E_RNA)
where:
Base-Base interactions energy: -1582.179
where: short stacking energy: -693.699
Base-Backbone interact. energy: -2.430
local terms energy: -769.941374
where:
bonds (distance) C4'-P energy: -149.432
bonds (distance) P-C4' energy: -151.725
flat angles C4'-P-C4' energy: -160.889
flat angles P-C4'-P energy: -100.937
tors. eta vs tors. theta energy: -206.958
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: 6, replica: 1
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -2261.565088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.565088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.252168 (E_RNA)
where:
Base-Base interactions energy: -1518.713
where: short stacking energy: -657.195
Base-Backbone interact. energy: -1.713
local terms energy: -742.826214
where:
bonds (distance) C4'-P energy: -155.976
bonds (distance) P-C4' energy: -147.069
flat angles C4'-P-C4' energy: -167.652
flat angles P-C4'-P energy: -89.460
tors. eta vs tors. theta energy: -182.669
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: 6
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -2172.153702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.153702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.456666 (E_RNA)
where:
Base-Base interactions energy: -1488.089
where: short stacking energy: -620.668
Base-Backbone interact. energy: 0.172
local terms energy: -687.539565
where:
bonds (distance) C4'-P energy: -148.049
bonds (distance) P-C4' energy: -119.274
flat angles C4'-P-C4' energy: -156.177
flat angles P-C4'-P energy: -102.726
tors. eta vs tors. theta energy: -161.313
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: 8, replica: 3
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -2004.536303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.536303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.624078 (E_RNA)
where:
Base-Base interactions energy: -1354.529
where: short stacking energy: -561.607
Base-Backbone interact. energy: -2.709
local terms energy: -649.386105
where:
bonds (distance) C4'-P energy: -143.996
bonds (distance) P-C4' energy: -130.144
flat angles C4'-P-C4' energy: -147.510
flat angles P-C4'-P energy: -97.890
tors. eta vs tors. theta energy: -129.845
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: 9, replica: 8
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -1855.677352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.677352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.743474 (E_RNA)
where:
Base-Base interactions energy: -1236.450
where: short stacking energy: -540.720
Base-Backbone interact. energy: -3.799
local terms energy: -627.494341
where:
bonds (distance) C4'-P energy: -142.665
bonds (distance) P-C4' energy: -132.841
flat angles C4'-P-C4' energy: -145.548
flat angles P-C4'-P energy: -86.164
tors. eta vs tors. theta energy: -120.277
Dist. restrs. and SS energy: 12.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -1833.129900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.129900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.647558 (E_RNA)
where:
Base-Base interactions energy: -1256.249
where: short stacking energy: -536.819
Base-Backbone interact. energy: -3.542
local terms energy: -576.856544
where:
bonds (distance) C4'-P energy: -127.065
bonds (distance) P-C4' energy: -123.607
flat angles C4'-P-C4' energy: -140.197
flat angles P-C4'-P energy: -48.246
tors. eta vs tors. theta energy: -137.741
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: 1, replica: 10
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -2925.206162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2925.206162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2926.221070 (E_RNA)
where:
Base-Base interactions energy: -2028.670
where: short stacking energy: -877.659
Base-Backbone interact. energy: -3.628
local terms energy: -893.923147
where:
bonds (distance) C4'-P energy: -159.380
bonds (distance) P-C4' energy: -161.219
flat angles C4'-P-C4' energy: -185.731
flat angles P-C4'-P energy: -135.256
tors. eta vs tors. theta energy: -252.337
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: 2, replica: 9
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -2790.113096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.113096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.771795 (E_RNA)
where:
Base-Base interactions energy: -1937.413
where: short stacking energy: -838.778
Base-Backbone interact. energy: -3.763
local terms energy: -850.595903
where:
bonds (distance) C4'-P energy: -147.887
bonds (distance) P-C4' energy: -151.143
flat angles C4'-P-C4' energy: -175.763
flat angles P-C4'-P energy: -128.185
tors. eta vs tors. theta energy: -247.618
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: 3, replica: 7
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -2693.849816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.849816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.587299 (E_RNA)
where:
Base-Base interactions energy: -1875.348
where: short stacking energy: -775.924
Base-Backbone interact. energy: -6.496
local terms energy: -813.743058
where:
bonds (distance) C4'-P energy: -154.684
bonds (distance) P-C4' energy: -161.016
flat angles C4'-P-C4' energy: -176.040
flat angles P-C4'-P energy: -95.791
tors. eta vs tors. theta energy: -226.211
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: 2
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -2536.063615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.063615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.205538 (E_RNA)
where:
Base-Base interactions energy: -1732.897
where: short stacking energy: -706.283
Base-Backbone interact. energy: 0.979
local terms energy: -805.286725
where:
bonds (distance) C4'-P energy: -160.642
bonds (distance) P-C4' energy: -154.294
flat angles C4'-P-C4' energy: -175.407
flat angles P-C4'-P energy: -103.827
tors. eta vs tors. theta energy: -211.117
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: 5, replica: 4
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -2342.521678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.521678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.380735 (E_RNA)
where:
Base-Base interactions energy: -1614.102
where: short stacking energy: -689.474
Base-Backbone interact. energy: -3.168
local terms energy: -728.110514
where:
bonds (distance) C4'-P energy: -144.405
bonds (distance) P-C4' energy: -122.643
flat angles C4'-P-C4' energy: -163.660
flat angles P-C4'-P energy: -97.229
tors. eta vs tors. theta energy: -200.174
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: 6, replica: 1
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -2312.253018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.253018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.797831 (E_RNA)
where:
Base-Base interactions energy: -1572.688
where: short stacking energy: -655.978
Base-Backbone interact. energy: -4.136
local terms energy: -736.973459
where:
bonds (distance) C4'-P energy: -124.994
bonds (distance) P-C4' energy: -155.822
flat angles C4'-P-C4' energy: -163.094
flat angles P-C4'-P energy: -102.975
tors. eta vs tors. theta energy: -190.089
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: 6
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -2219.206645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.206645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.541567 (E_RNA)
where:
Base-Base interactions energy: -1509.731
where: short stacking energy: -622.033
Base-Backbone interact. energy: -0.104
local terms energy: -711.705811
where:
bonds (distance) C4'-P energy: -137.404
bonds (distance) P-C4' energy: -137.138
flat angles C4'-P-C4' energy: -174.530
flat angles P-C4'-P energy: -91.111
tors. eta vs tors. theta energy: -171.523
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: 8, replica: 3
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -2141.935542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.935542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.966632 (E_RNA)
where:
Base-Base interactions energy: -1435.825
where: short stacking energy: -604.938
Base-Backbone interact. energy: -3.687
local terms energy: -705.454458
where:
bonds (distance) C4'-P energy: -140.715
bonds (distance) P-C4' energy: -127.640
flat angles C4'-P-C4' energy: -160.511
flat angles P-C4'-P energy: -108.444
tors. eta vs tors. theta energy: -168.145
Dist. restrs. and SS energy: 3.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -1886.411050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.411050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.668072 (E_RNA)
where:
Base-Base interactions energy: -1251.193
where: short stacking energy: -527.499
Base-Backbone interact. energy: -1.129
local terms energy: -640.346264
where:
bonds (distance) C4'-P energy: -122.233
bonds (distance) P-C4' energy: -138.652
flat angles C4'-P-C4' energy: -170.189
flat angles P-C4'-P energy: -77.664
tors. eta vs tors. theta energy: -131.607
Dist. restrs. and SS energy: 6.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -1844.644342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.644342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.041926 (E_RNA)
where:
Base-Base interactions energy: -1287.634
where: short stacking energy: -545.622
Base-Backbone interact. energy: -0.644
local terms energy: -562.763201
where:
bonds (distance) C4'-P energy: -112.187
bonds (distance) P-C4' energy: -114.353
flat angles C4'-P-C4' energy: -139.974
flat angles P-C4'-P energy: -67.059
tors. eta vs tors. theta energy: -129.190
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: 1, replica: 10
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -2875.187003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2875.187003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2876.173763 (E_RNA)
where:
Base-Base interactions energy: -2002.325
where: short stacking energy: -829.605
Base-Backbone interact. energy: -0.236
local terms energy: -873.612954
where:
bonds (distance) C4'-P energy: -158.368
bonds (distance) P-C4' energy: -153.341
flat angles C4'-P-C4' energy: -192.810
flat angles P-C4'-P energy: -129.885
tors. eta vs tors. theta energy: -239.210
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: 9
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -2776.797961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.797961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.073448 (E_RNA)
where:
Base-Base interactions energy: -1896.321
where: short stacking energy: -827.167
Base-Backbone interact. energy: -2.074
local terms energy: -879.678533
where:
bonds (distance) C4'-P energy: -164.984
bonds (distance) P-C4' energy: -156.427
flat angles C4'-P-C4' energy: -189.011
flat angles P-C4'-P energy: -122.224
tors. eta vs tors. theta energy: -247.032
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: 3, replica: 7
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -2698.686945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.686945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.154240 (E_RNA)
where:
Base-Base interactions energy: -1868.141
where: short stacking energy: -769.287
Base-Backbone interact. energy: -3.306
local terms energy: -828.707235
where:
bonds (distance) C4'-P energy: -152.976
bonds (distance) P-C4' energy: -163.756
flat angles C4'-P-C4' energy: -174.754
flat angles P-C4'-P energy: -122.046
tors. eta vs tors. theta energy: -215.176
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: 2
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -2518.647756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.647756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.323411 (E_RNA)
where:
Base-Base interactions energy: -1706.810
where: short stacking energy: -732.471
Base-Backbone interact. energy: -0.255
local terms energy: -813.258512
where:
bonds (distance) C4'-P energy: -151.768
bonds (distance) P-C4' energy: -157.013
flat angles C4'-P-C4' energy: -172.291
flat angles P-C4'-P energy: -119.807
tors. eta vs tors. theta energy: -212.379
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: 5, replica: 4
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -2367.787218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.787218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.275972 (E_RNA)
where:
Base-Base interactions energy: -1584.448
where: short stacking energy: -693.143
Base-Backbone interact. energy: -2.981
local terms energy: -781.846988
where:
bonds (distance) C4'-P energy: -142.531
bonds (distance) P-C4' energy: -152.017
flat angles C4'-P-C4' energy: -169.208
flat angles P-C4'-P energy: -111.402
tors. eta vs tors. theta energy: -206.689
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: 1
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -2277.026719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.026719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.276680 (E_RNA)
where:
Base-Base interactions energy: -1539.241
where: short stacking energy: -645.077
Base-Backbone interact. energy: -1.735
local terms energy: -737.300436
where:
bonds (distance) C4'-P energy: -148.724
bonds (distance) P-C4' energy: -139.514
flat angles C4'-P-C4' energy: -151.227
flat angles P-C4'-P energy: -122.775
tors. eta vs tors. theta energy: -175.060
Dist. restrs. and SS energy: 1.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -2180.177071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.177071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.555031 (E_RNA)
where:
Base-Base interactions energy: -1504.421
where: short stacking energy: -639.126
Base-Backbone interact. energy: 6.226
local terms energy: -684.360343
where:
bonds (distance) C4'-P energy: -134.156
bonds (distance) P-C4' energy: -139.496
flat angles C4'-P-C4' energy: -141.052
flat angles P-C4'-P energy: -95.896
tors. eta vs tors. theta energy: -173.760
Dist. restrs. and SS energy: 2.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -2025.588197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.588197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.149543 (E_RNA)
where:
Base-Base interactions energy: -1362.909
where: short stacking energy: -560.346
Base-Backbone interact. energy: 1.057
local terms energy: -668.297331
where:
bonds (distance) C4'-P energy: -135.491
bonds (distance) P-C4' energy: -145.591
flat angles C4'-P-C4' energy: -139.332
flat angles P-C4'-P energy: -98.543
tors. eta vs tors. theta energy: -149.340
Dist. restrs. and SS energy: 4.561 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -1873.383535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.383535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.626250 (E_RNA)
where:
Base-Base interactions energy: -1274.833
where: short stacking energy: -509.063
Base-Backbone interact. energy: 2.981
local terms energy: -605.774490
where:
bonds (distance) C4'-P energy: -122.603
bonds (distance) P-C4' energy: -141.105
flat angles C4'-P-C4' energy: -145.730
flat angles P-C4'-P energy: -78.440
tors. eta vs tors. theta energy: -117.896
Dist. restrs. and SS energy: 4.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -1890.682753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.682753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.014685 (E_RNA)
where:
Base-Base interactions energy: -1263.218
where: short stacking energy: -530.747
Base-Backbone interact. energy: -3.414
local terms energy: -627.383257
where:
bonds (distance) C4'-P energy: -121.439
bonds (distance) P-C4' energy: -121.683
flat angles C4'-P-C4' energy: -143.662
flat angles P-C4'-P energy: -97.199
tors. eta vs tors. theta energy: -143.401
Dist. restrs. and SS energy: 3.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -2859.114462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2859.114462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2860.989373 (E_RNA)
where:
Base-Base interactions energy: -1988.671
where: short stacking energy: -842.949
Base-Backbone interact. energy: -2.387
local terms energy: -869.931828
where:
bonds (distance) C4'-P energy: -155.228
bonds (distance) P-C4' energy: -153.468
flat angles C4'-P-C4' energy: -184.681
flat angles P-C4'-P energy: -131.889
tors. eta vs tors. theta energy: -244.665
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: 2, replica: 9
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -2779.834837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2779.834837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.939991 (E_RNA)
where:
Base-Base interactions energy: -1916.441
where: short stacking energy: -821.427
Base-Backbone interact. energy: 0.336
local terms energy: -865.835464
where:
bonds (distance) C4'-P energy: -154.433
bonds (distance) P-C4' energy: -157.865
flat angles C4'-P-C4' energy: -179.758
flat angles P-C4'-P energy: -114.099
tors. eta vs tors. theta energy: -259.680
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: 3, replica: 7
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -2739.458890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.458890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.694021 (E_RNA)
where:
Base-Base interactions energy: -1941.207
where: short stacking energy: -771.507
Base-Backbone interact. energy: -3.484
local terms energy: -798.002613
where:
bonds (distance) C4'-P energy: -140.375
bonds (distance) P-C4' energy: -135.472
flat angles C4'-P-C4' energy: -181.015
flat angles P-C4'-P energy: -109.710
tors. eta vs tors. theta energy: -231.430
Dist. restrs. and SS energy: 3.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -2495.573098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.573098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.873716 (E_RNA)
where:
Base-Base interactions energy: -1725.329
where: short stacking energy: -735.542
Base-Backbone interact. energy: 2.683
local terms energy: -775.227615
where:
bonds (distance) C4'-P energy: -123.772
bonds (distance) P-C4' energy: -165.219
flat angles C4'-P-C4' energy: -181.837
flat angles P-C4'-P energy: -100.469
tors. eta vs tors. theta energy: -203.931
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: 5, replica: 4
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -2360.549379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.549379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.803576 (E_RNA)
where:
Base-Base interactions energy: -1615.489
where: short stacking energy: -712.373
Base-Backbone interact. energy: 3.301
local terms energy: -749.615329
where:
bonds (distance) C4'-P energy: -147.482
bonds (distance) P-C4' energy: -141.540
flat angles C4'-P-C4' energy: -153.759
flat angles P-C4'-P energy: -116.955
tors. eta vs tors. theta energy: -189.879
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: 293
Temperature: 1.150000
Total energy: -2260.996755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.996755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.904615 (E_RNA)
where:
Base-Base interactions energy: -1519.564
where: short stacking energy: -632.282
Base-Backbone interact. energy: 1.867
local terms energy: -745.208465
where:
bonds (distance) C4'-P energy: -147.507
bonds (distance) P-C4' energy: -154.908
flat angles C4'-P-C4' energy: -158.251
flat angles P-C4'-P energy: -112.890
tors. eta vs tors. theta energy: -171.651
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: 1
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -2232.941125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.941125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.189188 (E_RNA)
where:
Base-Base interactions energy: -1543.272
where: short stacking energy: -651.278
Base-Backbone interact. energy: 0.730
local terms energy: -692.647833
where:
bonds (distance) C4'-P energy: -137.958
bonds (distance) P-C4' energy: -130.061
flat angles C4'-P-C4' energy: -157.492
flat angles P-C4'-P energy: -90.553
tors. eta vs tors. theta energy: -176.585
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: 8, replica: 3
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -1998.359449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.359449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.299580 (E_RNA)
where:
Base-Base interactions energy: -1364.225
where: short stacking energy: -547.956
Base-Backbone interact. energy: -5.001
local terms energy: -631.073562
where:
bonds (distance) C4'-P energy: -133.982
bonds (distance) P-C4' energy: -130.509
flat angles C4'-P-C4' energy: -141.134
flat angles P-C4'-P energy: -89.187
tors. eta vs tors. theta energy: -136.260
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: 9, replica: 5
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -1867.710455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.710455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.832395 (E_RNA)
where:
Base-Base interactions energy: -1237.929
where: short stacking energy: -529.058
Base-Backbone interact. energy: -2.274
local terms energy: -631.629139
where:
bonds (distance) C4'-P energy: -138.893
bonds (distance) P-C4' energy: -123.730
flat angles C4'-P-C4' energy: -149.495
flat angles P-C4'-P energy: -91.084
tors. eta vs tors. theta energy: -128.428
Dist. restrs. and SS energy: 4.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -1842.517215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.517215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.275930 (E_RNA)
where:
Base-Base interactions energy: -1248.941
where: short stacking energy: -525.992
Base-Backbone interact. energy: 1.465
local terms energy: -598.800326
where:
bonds (distance) C4'-P energy: -108.189
bonds (distance) P-C4' energy: -127.990
flat angles C4'-P-C4' energy: -129.239
flat angles P-C4'-P energy: -88.595
tors. eta vs tors. theta energy: -144.787
Dist. restrs. and SS energy: 3.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -2863.699409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2863.699409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2865.042298 (E_RNA)
where:
Base-Base interactions energy: -1970.316
where: short stacking energy: -836.141
Base-Backbone interact. energy: -3.078
local terms energy: -891.648373
where:
bonds (distance) C4'-P energy: -159.139
bonds (distance) P-C4' energy: -158.328
flat angles C4'-P-C4' energy: -196.509
flat angles P-C4'-P energy: -121.061
tors. eta vs tors. theta energy: -256.611
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: 2, replica: 10
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -2804.273561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.273561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.458324 (E_RNA)
where:
Base-Base interactions energy: -1942.662
where: short stacking energy: -826.969
Base-Backbone interact. energy: -4.304
local terms energy: -858.492243
where:
bonds (distance) C4'-P energy: -155.688
bonds (distance) P-C4' energy: -153.586
flat angles C4'-P-C4' energy: -191.926
flat angles P-C4'-P energy: -123.106
tors. eta vs tors. theta energy: -234.185
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: 3, replica: 7
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -2720.690798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.690798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.034451 (E_RNA)
where:
Base-Base interactions energy: -1882.857
where: short stacking energy: -798.196
Base-Backbone interact. energy: -2.576
local terms energy: -838.600944
where:
bonds (distance) C4'-P energy: -151.440
bonds (distance) P-C4' energy: -154.028
flat angles C4'-P-C4' energy: -184.903
flat angles P-C4'-P energy: -116.050
tors. eta vs tors. theta energy: -232.180
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: 4, replica: 2
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -2510.363421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.363421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.115560 (E_RNA)
where:
Base-Base interactions energy: -1711.456
where: short stacking energy: -715.389
Base-Backbone interact. energy: -3.353
local terms energy: -797.307383
where:
bonds (distance) C4'-P energy: -147.078
bonds (distance) P-C4' energy: -155.659
flat angles C4'-P-C4' energy: -175.358
flat angles P-C4'-P energy: -116.470
tors. eta vs tors. theta energy: -202.742
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: 4
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -2370.121639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.121639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.521298 (E_RNA)
where:
Base-Base interactions energy: -1625.995
where: short stacking energy: -706.249
Base-Backbone interact. energy: -0.412
local terms energy: -745.113895
where:
bonds (distance) C4'-P energy: -149.436
bonds (distance) P-C4' energy: -137.556
flat angles C4'-P-C4' energy: -167.546
flat angles P-C4'-P energy: -93.818
tors. eta vs tors. theta energy: -196.757
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: 6, replica: 6
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -2217.671948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.671948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.413606 (E_RNA)
where:
Base-Base interactions energy: -1545.592
where: short stacking energy: -657.238
Base-Backbone interact. energy: -1.836
local terms energy: -671.985371
where:
bonds (distance) C4'-P energy: -115.549
bonds (distance) P-C4' energy: -136.818
flat angles C4'-P-C4' energy: -148.008
flat angles P-C4'-P energy: -97.801
tors. eta vs tors. theta energy: -173.810
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: 7, replica: 1
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -2211.100090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.100090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.454481 (E_RNA)
where:
Base-Base interactions energy: -1503.837
where: short stacking energy: -646.333
Base-Backbone interact. energy: -0.615
local terms energy: -709.001936
where:
bonds (distance) C4'-P energy: -126.826
bonds (distance) P-C4' energy: -137.559
flat angles C4'-P-C4' energy: -163.088
flat angles P-C4'-P energy: -109.079
tors. eta vs tors. theta energy: -172.450
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: 8, replica: 3
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -2033.712743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.712743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.262437 (E_RNA)
where:
Base-Base interactions energy: -1359.561
where: short stacking energy: -567.711
Base-Backbone interact. energy: -2.583
local terms energy: -676.118765
where:
bonds (distance) C4'-P energy: -129.793
bonds (distance) P-C4' energy: -146.369
flat angles C4'-P-C4' energy: -147.271
flat angles P-C4'-P energy: -90.397
tors. eta vs tors. theta energy: -162.289
Dist. restrs. and SS energy: 4.550 (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: 5
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -1932.096403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.096403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.677968 (E_RNA)
where:
Base-Base interactions energy: -1344.449
where: short stacking energy: -567.702
Base-Backbone interact. energy: -2.745
local terms energy: -587.484595
where:
bonds (distance) C4'-P energy: -131.210
bonds (distance) P-C4' energy: -120.611
flat angles C4'-P-C4' energy: -113.564
flat angles P-C4'-P energy: -77.944
tors. eta vs tors. theta energy: -144.156
Dist. restrs. and SS energy: 2.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -1783.697918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.697918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.917674 (E_RNA)
where:
Base-Base interactions energy: -1222.073
where: short stacking energy: -464.143
Base-Backbone interact. energy: 0.485
local terms energy: -567.330141
where:
bonds (distance) C4'-P energy: -118.670
bonds (distance) P-C4' energy: -110.051
flat angles C4'-P-C4' energy: -131.550
flat angles P-C4'-P energy: -93.709
tors. eta vs tors. theta energy: -113.350
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: 295
Temperature: 0.900000
Total energy: -2880.061464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2880.061464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2882.141998 (E_RNA)
where:
Base-Base interactions energy: -1990.940
where: short stacking energy: -828.558
Base-Backbone interact. energy: 0.171
local terms energy: -891.372726
where:
bonds (distance) C4'-P energy: -166.984
bonds (distance) P-C4' energy: -157.129
flat angles C4'-P-C4' energy: -191.328
flat angles P-C4'-P energy: -120.696
tors. eta vs tors. theta energy: -255.235
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: 2, replica: 10
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -2821.620110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.620110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.211051 (E_RNA)
where:
Base-Base interactions energy: -1958.284
where: short stacking energy: -837.310
Base-Backbone interact. energy: -3.487
local terms energy: -861.439722
where:
bonds (distance) C4'-P energy: -159.510
bonds (distance) P-C4' energy: -156.591
flat angles C4'-P-C4' energy: -180.354
flat angles P-C4'-P energy: -120.725
tors. eta vs tors. theta energy: -244.259
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: 3, replica: 7
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -2719.168066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.168066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.029115 (E_RNA)
where:
Base-Base interactions energy: -1903.973
where: short stacking energy: -792.027
Base-Backbone interact. energy: 0.254
local terms energy: -817.310115
where:
bonds (distance) C4'-P energy: -160.459
bonds (distance) P-C4' energy: -149.195
flat angles C4'-P-C4' energy: -170.273
flat angles P-C4'-P energy: -108.396
tors. eta vs tors. theta energy: -228.988
Dist. restrs. and SS energy: 1.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -2535.559233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.559233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.553361 (E_RNA)
where:
Base-Base interactions energy: -1738.163
where: short stacking energy: -741.172
Base-Backbone interact. energy: -3.540
local terms energy: -796.850829
where:
bonds (distance) C4'-P energy: -143.153
bonds (distance) P-C4' energy: -163.252
flat angles C4'-P-C4' energy: -176.397
flat angles P-C4'-P energy: -105.450
tors. eta vs tors. theta energy: -208.599
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: 4
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -2386.398038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.398038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.768032 (E_RNA)
where:
Base-Base interactions energy: -1644.266
where: short stacking energy: -704.165
Base-Backbone interact. energy: -0.296
local terms energy: -743.206898
where:
bonds (distance) C4'-P energy: -146.099
bonds (distance) P-C4' energy: -137.442
flat angles C4'-P-C4' energy: -155.721
flat angles P-C4'-P energy: -109.545
tors. eta vs tors. theta energy: -194.400
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: 6, replica: 6
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -2227.392620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.392620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.769840 (E_RNA)
where:
Base-Base interactions energy: -1533.322
where: short stacking energy: -629.459
Base-Backbone interact. energy: 1.931
local terms energy: -698.378913
where:
bonds (distance) C4'-P energy: -150.301
bonds (distance) P-C4' energy: -137.660
flat angles C4'-P-C4' energy: -160.244
flat angles P-C4'-P energy: -83.195
tors. eta vs tors. theta energy: -166.979
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: 7, replica: 1
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -2207.738137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.738137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.220511 (E_RNA)
where:
Base-Base interactions energy: -1499.261
where: short stacking energy: -638.641
Base-Backbone interact. energy: -0.973
local terms energy: -709.986608
where:
bonds (distance) C4'-P energy: -144.262
bonds (distance) P-C4' energy: -145.901
flat angles C4'-P-C4' energy: -142.843
flat angles P-C4'-P energy: -104.268
tors. eta vs tors. theta energy: -172.713
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: 3
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -2015.329503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.329503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.265096 (E_RNA)
where:
Base-Base interactions energy: -1356.121
where: short stacking energy: -581.741
Base-Backbone interact. energy: 1.132
local terms energy: -663.275963
where:
bonds (distance) C4'-P energy: -134.691
bonds (distance) P-C4' energy: -158.402
flat angles C4'-P-C4' energy: -125.426
flat angles P-C4'-P energy: -90.437
tors. eta vs tors. theta energy: -154.319
Dist. restrs. and SS energy: 2.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -1934.701417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.701417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.418200 (E_RNA)
where:
Base-Base interactions energy: -1305.871
where: short stacking energy: -551.656
Base-Backbone interact. energy: 0.437
local terms energy: -632.984969
where:
bonds (distance) C4'-P energy: -120.048
bonds (distance) P-C4' energy: -137.063
flat angles C4'-P-C4' energy: -143.051
flat angles P-C4'-P energy: -87.893
tors. eta vs tors. theta energy: -144.930
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: 10, replica: 8
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -1807.768784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.768784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.058141 (E_RNA)
where:
Base-Base interactions energy: -1248.718
where: short stacking energy: -503.721
Base-Backbone interact. energy: -0.907
local terms energy: -560.433015
where:
bonds (distance) C4'-P energy: -134.944
bonds (distance) P-C4' energy: -131.935
flat angles C4'-P-C4' energy: -127.592
flat angles P-C4'-P energy: -51.030
tors. eta vs tors. theta energy: -114.932
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: 1, replica: 9
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -2911.377602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2911.377602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2913.057431 (E_RNA)
where:
Base-Base interactions energy: -1969.005
where: short stacking energy: -856.327
Base-Backbone interact. energy: -5.144
local terms energy: -938.908620
where:
bonds (distance) C4'-P energy: -163.527
bonds (distance) P-C4' energy: -183.779
flat angles C4'-P-C4' energy: -187.218
flat angles P-C4'-P energy: -143.629
tors. eta vs tors. theta energy: -260.755
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: 2, replica: 10
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -2860.914593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2860.914593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2862.247438 (E_RNA)
where:
Base-Base interactions energy: -1979.594
where: short stacking energy: -820.167
Base-Backbone interact. energy: -2.319
local terms energy: -880.334557
where:
bonds (distance) C4'-P energy: -163.367
bonds (distance) P-C4' energy: -148.255
flat angles C4'-P-C4' energy: -188.612
flat angles P-C4'-P energy: -132.010
tors. eta vs tors. theta energy: -248.091
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: 3, replica: 7
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -2720.220611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.220611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.866272 (E_RNA)
where:
Base-Base interactions energy: -1899.224
where: short stacking energy: -808.310
Base-Backbone interact. energy: -5.302
local terms energy: -817.340970
where:
bonds (distance) C4'-P energy: -141.316
bonds (distance) P-C4' energy: -147.433
flat angles C4'-P-C4' energy: -172.966
flat angles P-C4'-P energy: -115.475
tors. eta vs tors. theta energy: -240.151
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: 4, replica: 2
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -2572.261688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.261688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.461566 (E_RNA)
where:
Base-Base interactions energy: -1773.674
where: short stacking energy: -742.652
Base-Backbone interact. energy: -0.312
local terms energy: -801.475001
where:
bonds (distance) C4'-P energy: -143.053
bonds (distance) P-C4' energy: -161.895
flat angles C4'-P-C4' energy: -173.117
flat angles P-C4'-P energy: -116.107
tors. eta vs tors. theta energy: -207.303
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: 5, replica: 4
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -2362.445195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.445195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.728868 (E_RNA)
where:
Base-Base interactions energy: -1615.193
where: short stacking energy: -692.429
Base-Backbone interact. energy: -1.364
local terms energy: -747.171936
where:
bonds (distance) C4'-P energy: -149.453
bonds (distance) P-C4' energy: -136.866
flat angles C4'-P-C4' energy: -166.099
flat angles P-C4'-P energy: -94.564
tors. eta vs tors. theta energy: -200.190
Dist. restrs. and SS energy: 1.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -2214.622618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.622618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.370895 (E_RNA)
where:
Base-Base interactions energy: -1524.063
where: short stacking energy: -652.771
Base-Backbone interact. energy: -1.193
local terms energy: -691.114325
where:
bonds (distance) C4'-P energy: -132.026
bonds (distance) P-C4' energy: -122.306
flat angles C4'-P-C4' energy: -146.249
flat angles P-C4'-P energy: -106.859
tors. eta vs tors. theta energy: -183.674
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: 296
Temperature: 1.200000
Total energy: -2203.537154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.537154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.114112 (E_RNA)
where:
Base-Base interactions energy: -1498.675
where: short stacking energy: -625.811
Base-Backbone interact. energy: -2.727
local terms energy: -704.711889
where:
bonds (distance) C4'-P energy: -129.158
bonds (distance) P-C4' energy: -142.088
flat angles C4'-P-C4' energy: -165.256
flat angles P-C4'-P energy: -90.741
tors. eta vs tors. theta energy: -177.469
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: 8, replica: 3
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -2057.813612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.813612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.240784 (E_RNA)
where:
Base-Base interactions energy: -1401.258
where: short stacking energy: -580.035
Base-Backbone interact. energy: 0.596
local terms energy: -659.578684
where:
bonds (distance) C4'-P energy: -125.320
bonds (distance) P-C4' energy: -144.355
flat angles C4'-P-C4' energy: -159.479
flat angles P-C4'-P energy: -82.844
tors. eta vs tors. theta energy: -147.581
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: 9, replica: 5
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -1997.393484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.393484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.712850 (E_RNA)
where:
Base-Base interactions energy: -1323.677
where: short stacking energy: -537.271
Base-Backbone interact. energy: -2.862
local terms energy: -673.173779
where:
bonds (distance) C4'-P energy: -140.277
bonds (distance) P-C4' energy: -142.841
flat angles C4'-P-C4' energy: -134.312
flat angles P-C4'-P energy: -113.492
tors. eta vs tors. theta energy: -142.252
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: 10, replica: 8
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -1814.666886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.666886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.988525 (E_RNA)
where:
Base-Base interactions energy: -1233.533
where: short stacking energy: -534.380
Base-Backbone interact. energy: -5.249
local terms energy: -582.206520
where:
bonds (distance) C4'-P energy: -111.382
bonds (distance) P-C4' energy: -134.117
flat angles C4'-P-C4' energy: -116.673
flat angles P-C4'-P energy: -73.711
tors. eta vs tors. theta energy: -146.323
Dist. restrs. and SS energy: 6.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -2912.620494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2912.620494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2914.260415 (E_RNA)
where:
Base-Base interactions energy: -2025.708
where: short stacking energy: -870.296
Base-Backbone interact. energy: -4.699
local terms energy: -883.852982
where:
bonds (distance) C4'-P energy: -149.253
bonds (distance) P-C4' energy: -164.782
flat angles C4'-P-C4' energy: -184.907
flat angles P-C4'-P energy: -125.604
tors. eta vs tors. theta energy: -259.307
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: 2, replica: 10
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -2847.286653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2847.286653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2848.392701 (E_RNA)
where:
Base-Base interactions energy: -1983.411
where: short stacking energy: -825.082
Base-Backbone interact. energy: -4.935
local terms energy: -860.046134
where:
bonds (distance) C4'-P energy: -143.379
bonds (distance) P-C4' energy: -164.168
flat angles C4'-P-C4' energy: -179.437
flat angles P-C4'-P energy: -124.935
tors. eta vs tors. theta energy: -248.127
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: 3, replica: 7
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -2706.276413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.276413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.907427 (E_RNA)
where:
Base-Base interactions energy: -1869.530
where: short stacking energy: -758.426
Base-Backbone interact. energy: -0.377
local terms energy: -838.000114
where:
bonds (distance) C4'-P energy: -165.889
bonds (distance) P-C4' energy: -166.952
flat angles C4'-P-C4' energy: -172.533
flat angles P-C4'-P energy: -118.042
tors. eta vs tors. theta energy: -214.584
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: 4, replica: 2
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -2577.647016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.647016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.826708 (E_RNA)
where:
Base-Base interactions energy: -1750.460
where: short stacking energy: -752.808
Base-Backbone interact. energy: 3.563
local terms energy: -832.929527
where:
bonds (distance) C4'-P energy: -130.013
bonds (distance) P-C4' energy: -151.302
flat angles C4'-P-C4' energy: -185.440
flat angles P-C4'-P energy: -136.013
tors. eta vs tors. theta energy: -230.162
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: 5, replica: 4
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -2326.920696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.920696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.903695 (E_RNA)
where:
Base-Base interactions energy: -1568.900
where: short stacking energy: -660.350
Base-Backbone interact. energy: -2.162
local terms energy: -757.841775
where:
bonds (distance) C4'-P energy: -156.727
bonds (distance) P-C4' energy: -159.335
flat angles C4'-P-C4' energy: -160.835
flat angles P-C4'-P energy: -105.832
tors. eta vs tors. theta energy: -175.112
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: 1
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -2231.066049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.066049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.161280 (E_RNA)
where:
Base-Base interactions energy: -1515.181
where: short stacking energy: -637.373
Base-Backbone interact. energy: -4.313
local terms energy: -713.667214
where:
bonds (distance) C4'-P energy: -130.051
bonds (distance) P-C4' energy: -153.472
flat angles C4'-P-C4' energy: -156.836
flat angles P-C4'-P energy: -99.609
tors. eta vs tors. theta energy: -173.699
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: 6
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -2195.754629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.754629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.966127 (E_RNA)
where:
Base-Base interactions energy: -1499.984
where: short stacking energy: -610.677
Base-Backbone interact. energy: -2.232
local terms energy: -695.750238
where:
bonds (distance) C4'-P energy: -141.667
bonds (distance) P-C4' energy: -132.712
flat angles C4'-P-C4' energy: -154.074
flat angles P-C4'-P energy: -100.997
tors. eta vs tors. theta energy: -166.300
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: 8, replica: 3
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -2020.220696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.220696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.414569 (E_RNA)
where:
Base-Base interactions energy: -1361.562
where: short stacking energy: -582.654
Base-Backbone interact. energy: 2.160
local terms energy: -664.012723
where:
bonds (distance) C4'-P energy: -119.667
bonds (distance) P-C4' energy: -141.992
flat angles C4'-P-C4' energy: -162.213
flat angles P-C4'-P energy: -85.385
tors. eta vs tors. theta energy: -154.756
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: 9, replica: 5
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -2011.668289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.668289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.001328 (E_RNA)
where:
Base-Base interactions energy: -1367.411
where: short stacking energy: -563.640
Base-Backbone interact. energy: -1.714
local terms energy: -645.876096
where:
bonds (distance) C4'-P energy: -128.215
bonds (distance) P-C4' energy: -131.101
flat angles C4'-P-C4' energy: -134.890
flat angles P-C4'-P energy: -105.930
tors. eta vs tors. theta energy: -145.740
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: 10, replica: 8
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -1763.941097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.941097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.687242 (E_RNA)
where:
Base-Base interactions energy: -1183.180
where: short stacking energy: -479.708
Base-Backbone interact. energy: -1.270
local terms energy: -586.237459
where:
bonds (distance) C4'-P energy: -134.278
bonds (distance) P-C4' energy: -142.454
flat angles C4'-P-C4' energy: -131.816
flat angles P-C4'-P energy: -71.585
tors. eta vs tors. theta energy: -106.103
Dist. restrs. and SS energy: 6.746 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -2922.393336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2922.393336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2924.269461 (E_RNA)
where:
Base-Base interactions energy: -2017.765
where: short stacking energy: -889.997
Base-Backbone interact. energy: 1.944
local terms energy: -908.448331
where:
bonds (distance) C4'-P energy: -163.683
bonds (distance) P-C4' energy: -162.572
flat angles C4'-P-C4' energy: -188.758
flat angles P-C4'-P energy: -130.420
tors. eta vs tors. theta energy: -263.015
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: 2, replica: 10
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -2875.105342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2875.105342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2875.952446 (E_RNA)
where:
Base-Base interactions energy: -1994.430
where: short stacking energy: -825.962
Base-Backbone interact. energy: -3.129
local terms energy: -878.393298
where:
bonds (distance) C4'-P energy: -152.888
bonds (distance) P-C4' energy: -151.816
flat angles C4'-P-C4' energy: -194.194
flat angles P-C4'-P energy: -134.041
tors. eta vs tors. theta energy: -245.455
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: 3, replica: 7
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -2741.683326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.683326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.773262 (E_RNA)
where:
Base-Base interactions energy: -1919.872
where: short stacking energy: -792.376
Base-Backbone interact. energy: -1.936
local terms energy: -821.965416
where:
bonds (distance) C4'-P energy: -134.872
bonds (distance) P-C4' energy: -159.922
flat angles C4'-P-C4' energy: -179.143
flat angles P-C4'-P energy: -126.377
tors. eta vs tors. theta energy: -221.651
Dist. restrs. and SS energy: 2.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -2614.412054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.412054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.989414 (E_RNA)
where:
Base-Base interactions energy: -1828.179
where: short stacking energy: -770.369
Base-Backbone interact. energy: -1.812
local terms energy: -785.999209
where:
bonds (distance) C4'-P energy: -137.593
bonds (distance) P-C4' energy: -144.180
flat angles C4'-P-C4' energy: -181.832
flat angles P-C4'-P energy: -100.416
tors. eta vs tors. theta energy: -221.979
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: 5, replica: 4
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -2349.797563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.797563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.130493 (E_RNA)
where:
Base-Base interactions energy: -1608.288
where: short stacking energy: -692.014
Base-Backbone interact. energy: -0.031
local terms energy: -743.811234
where:
bonds (distance) C4'-P energy: -145.892
bonds (distance) P-C4' energy: -141.292
flat angles C4'-P-C4' energy: -163.128
flat angles P-C4'-P energy: -97.962
tors. eta vs tors. theta energy: -195.538
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: 1
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -2280.949441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.949441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.348756 (E_RNA)
where:
Base-Base interactions energy: -1549.670
where: short stacking energy: -668.674
Base-Backbone interact. energy: -0.438
local terms energy: -733.240360
where:
bonds (distance) C4'-P energy: -129.547
bonds (distance) P-C4' energy: -146.665
flat angles C4'-P-C4' energy: -162.444
flat angles P-C4'-P energy: -116.688
tors. eta vs tors. theta energy: -177.896
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: 7, replica: 6
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -2203.498592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.498592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.480694 (E_RNA)
where:
Base-Base interactions energy: -1494.008
where: short stacking energy: -623.136
Base-Backbone interact. energy: 1.392
local terms energy: -713.865191
where:
bonds (distance) C4'-P energy: -132.849
bonds (distance) P-C4' energy: -146.534
flat angles C4'-P-C4' energy: -156.835
flat angles P-C4'-P energy: -105.852
tors. eta vs tors. theta energy: -171.796
Dist. restrs. and SS energy: 2.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -2042.163011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.163011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.300261 (E_RNA)
where:
Base-Base interactions energy: -1400.865
where: short stacking energy: -574.093
Base-Backbone interact. energy: -3.654
local terms energy: -638.780395
where:
bonds (distance) C4'-P energy: -105.312
bonds (distance) P-C4' energy: -117.498
flat angles C4'-P-C4' energy: -155.800
flat angles P-C4'-P energy: -103.645
tors. eta vs tors. theta energy: -156.526
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: 9, replica: 5
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -1943.131150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.131150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.328862 (E_RNA)
where:
Base-Base interactions energy: -1322.008
where: short stacking energy: -550.829
Base-Backbone interact. energy: 3.472
local terms energy: -626.793442
where:
bonds (distance) C4'-P energy: -126.892
bonds (distance) P-C4' energy: -126.652
flat angles C4'-P-C4' energy: -148.103
flat angles P-C4'-P energy: -89.184
tors. eta vs tors. theta energy: -135.962
Dist. restrs. and SS energy: 2.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -1780.459766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.459766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.035163 (E_RNA)
where:
Base-Base interactions energy: -1188.557
where: short stacking energy: -517.390
Base-Backbone interact. energy: 3.455
local terms energy: -602.932652
where:
bonds (distance) C4'-P energy: -112.906
bonds (distance) P-C4' energy: -109.597
flat angles C4'-P-C4' energy: -153.415
flat angles P-C4'-P energy: -94.713
tors. eta vs tors. theta energy: -132.301
Dist. restrs. and SS energy: 7.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -2873.946518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2873.946518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2875.564550 (E_RNA)
where:
Base-Base interactions energy: -1998.981
where: short stacking energy: -866.365
Base-Backbone interact. energy: 3.222
local terms energy: -879.806020
where:
bonds (distance) C4'-P energy: -155.028
bonds (distance) P-C4' energy: -153.598
flat angles C4'-P-C4' energy: -189.070
flat angles P-C4'-P energy: -130.093
tors. eta vs tors. theta energy: -252.017
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: 10
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -2800.896747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.896747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.069521 (E_RNA)
where:
Base-Base interactions energy: -1952.729
where: short stacking energy: -806.774
Base-Backbone interact. energy: -0.919
local terms energy: -848.422450
where:
bonds (distance) C4'-P energy: -165.693
bonds (distance) P-C4' energy: -144.662
flat angles C4'-P-C4' energy: -170.143
flat angles P-C4'-P energy: -127.265
tors. eta vs tors. theta energy: -240.660
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: 3, replica: 7
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -2728.181086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.181086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.219053 (E_RNA)
where:
Base-Base interactions energy: -1889.059
where: short stacking energy: -798.778
Base-Backbone interact. energy: -1.950
local terms energy: -839.210834
where:
bonds (distance) C4'-P energy: -156.295
bonds (distance) P-C4' energy: -154.801
flat angles C4'-P-C4' energy: -169.318
flat angles P-C4'-P energy: -115.228
tors. eta vs tors. theta energy: -243.568
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: 4, replica: 2
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -2592.869912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.869912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.884137 (E_RNA)
where:
Base-Base interactions energy: -1775.675
where: short stacking energy: -760.459
Base-Backbone interact. energy: -4.199
local terms energy: -815.010807
where:
bonds (distance) C4'-P energy: -154.225
bonds (distance) P-C4' energy: -154.566
flat angles C4'-P-C4' energy: -184.192
flat angles P-C4'-P energy: -102.155
tors. eta vs tors. theta energy: -219.873
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: 5, replica: 4
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -2333.282832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.282832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.907620 (E_RNA)
where:
Base-Base interactions energy: -1594.108
where: short stacking energy: -707.326
Base-Backbone interact. energy: -1.913
local terms energy: -739.886885
where:
bonds (distance) C4'-P energy: -153.390
bonds (distance) P-C4' energy: -122.891
flat angles C4'-P-C4' energy: -163.071
flat angles P-C4'-P energy: -103.967
tors. eta vs tors. theta energy: -196.568
Dist. restrs. and SS energy: 2.625 (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: 299
Temperature: 1.150000
Total energy: -2269.549832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.549832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.218163 (E_RNA)
where:
Base-Base interactions energy: -1531.639
where: short stacking energy: -652.920
Base-Backbone interact. energy: 2.678
local terms energy: -743.257225
where:
bonds (distance) C4'-P energy: -140.263
bonds (distance) P-C4' energy: -148.521
flat angles C4'-P-C4' energy: -156.636
flat angles P-C4'-P energy: -104.902
tors. eta vs tors. theta energy: -192.935
Dist. restrs. and SS energy: 2.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -2180.891874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.891874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.408084 (E_RNA)
where:
Base-Base interactions energy: -1496.599
where: short stacking energy: -629.145
Base-Backbone interact. energy: -2.799
local terms energy: -683.009588
where:
bonds (distance) C4'-P energy: -155.434
bonds (distance) P-C4' energy: -127.311
flat angles C4'-P-C4' energy: -142.316
flat angles P-C4'-P energy: -97.035
tors. eta vs tors. theta energy: -160.914
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: 3
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -2066.240526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.240526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.173255 (E_RNA)
where:
Base-Base interactions energy: -1383.380
where: short stacking energy: -579.426
Base-Backbone interact. energy: 13.155
local terms energy: -697.948337
where:
bonds (distance) C4'-P energy: -141.259
bonds (distance) P-C4' energy: -139.875
flat angles C4'-P-C4' energy: -153.468
flat angles P-C4'-P energy: -104.532
tors. eta vs tors. theta energy: -158.815
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: 9, replica: 5
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -1966.292147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.292147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.256273 (E_RNA)
where:
Base-Base interactions energy: -1341.084
where: short stacking energy: -577.462
Base-Backbone interact. energy: -2.751
local terms energy: -626.420610
where:
bonds (distance) C4'-P energy: -114.214
bonds (distance) P-C4' energy: -129.659
flat angles C4'-P-C4' energy: -150.724
flat angles P-C4'-P energy: -99.463
tors. eta vs tors. theta energy: -132.361
Dist. restrs. and SS energy: 3.964 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -1784.117527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.117527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.712973 (E_RNA)
where:
Base-Base interactions energy: -1252.807
where: short stacking energy: -512.466
Base-Backbone interact. energy: -0.785
local terms energy: -533.120760
where:
bonds (distance) C4'-P energy: -115.466
bonds (distance) P-C4' energy: -105.875
flat angles C4'-P-C4' energy: -140.216
flat angles P-C4'-P energy: -68.388
tors. eta vs tors. theta energy: -103.176
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: 1, replica: 9
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -2876.093309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2876.093309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2877.530952 (E_RNA)
where:
Base-Base interactions energy: -1996.252
where: short stacking energy: -841.645
Base-Backbone interact. energy: -3.425
local terms energy: -877.854254
where:
bonds (distance) C4'-P energy: -141.464
bonds (distance) P-C4' energy: -178.339
flat angles C4'-P-C4' energy: -185.974
flat angles P-C4'-P energy: -127.628
tors. eta vs tors. theta energy: -244.448
Dist. restrs. and SS energy: 1.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -2805.611066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.611066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.661519 (E_RNA)
where:
Base-Base interactions energy: -1956.688
where: short stacking energy: -830.383
Base-Backbone interact. energy: -1.954
local terms energy: -849.018938
where:
bonds (distance) C4'-P energy: -156.260
bonds (distance) P-C4' energy: -152.997
flat angles C4'-P-C4' energy: -185.949
flat angles P-C4'-P energy: -116.343
tors. eta vs tors. theta energy: -237.470
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: 300
Temperature: 1.000000
Total energy: -2699.852503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.852503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.131636 (E_RNA)
where:
Base-Base interactions energy: -1881.830
where: short stacking energy: -777.304
Base-Backbone interact. energy: 5.199
local terms energy: -824.501104
where:
bonds (distance) C4'-P energy: -148.046
bonds (distance) P-C4' energy: -168.005
flat angles C4'-P-C4' energy: -179.679
flat angles P-C4'-P energy: -112.565
tors. eta vs tors. theta energy: -216.205
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: 4, replica: 2
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -2628.914871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.914871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.014570 (E_RNA)
where:
Base-Base interactions energy: -1835.658
where: short stacking energy: -782.309
Base-Backbone interact. energy: -1.535
local terms energy: -793.821071
where:
bonds (distance) C4'-P energy: -151.477
bonds (distance) P-C4' energy: -146.965
flat angles C4'-P-C4' energy: -153.903
flat angles P-C4'-P energy: -115.592
tors. eta vs tors. theta energy: -225.885
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: 5, replica: 1
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -2327.027037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.027037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.256711 (E_RNA)
where:
Base-Base interactions energy: -1599.062
where: short stacking energy: -679.141
Base-Backbone interact. energy: 8.080
local terms energy: -738.275410
where:
bonds (distance) C4'-P energy: -133.704
bonds (distance) P-C4' energy: -150.355
flat angles C4'-P-C4' energy: -167.160
flat angles P-C4'-P energy: -79.582
tors. eta vs tors. theta energy: -207.475
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: 6, replica: 4
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -2239.130709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.130709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.699916 (E_RNA)
where:
Base-Base interactions energy: -1507.845
where: short stacking energy: -625.738
Base-Backbone interact. energy: -1.779
local terms energy: -731.075204
where:
bonds (distance) C4'-P energy: -156.391
bonds (distance) P-C4' energy: -134.407
flat angles C4'-P-C4' energy: -158.182
flat angles P-C4'-P energy: -111.660
tors. eta vs tors. theta energy: -170.435
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: 7, replica: 6
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -2131.991725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.991725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.619527 (E_RNA)
where:
Base-Base interactions energy: -1467.603
where: short stacking energy: -616.111
Base-Backbone interact. energy: -1.960
local terms energy: -665.056918
where:
bonds (distance) C4'-P energy: -128.502
bonds (distance) P-C4' energy: -135.520
flat angles C4'-P-C4' energy: -145.964
flat angles P-C4'-P energy: -90.881
tors. eta vs tors. theta energy: -164.190
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: 8, replica: 3
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -2050.321235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.321235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.710552 (E_RNA)
where:
Base-Base interactions energy: -1412.820
where: short stacking energy: -593.302
Base-Backbone interact. energy: 3.229
local terms energy: -644.118905
where:
bonds (distance) C4'-P energy: -127.081
bonds (distance) P-C4' energy: -129.851
flat angles C4'-P-C4' energy: -144.870
flat angles P-C4'-P energy: -93.605
tors. eta vs tors. theta energy: -148.711
Dist. restrs. and SS energy: 3.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -1952.409337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.409337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.012018 (E_RNA)
where:
Base-Base interactions energy: -1324.597
where: short stacking energy: -550.035
Base-Backbone interact. energy: 1.827
local terms energy: -632.242343
where:
bonds (distance) C4'-P energy: -111.473
bonds (distance) P-C4' energy: -133.626
flat angles C4'-P-C4' energy: -154.667
flat angles P-C4'-P energy: -94.201
tors. eta vs tors. theta energy: -138.275
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: 10, replica: 8
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -1825.718661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.718661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.456910 (E_RNA)
where:
Base-Base interactions energy: -1262.463
where: short stacking energy: -521.058
Base-Backbone interact. energy: 6.399
local terms energy: -577.392878
where:
bonds (distance) C4'-P energy: -106.586
bonds (distance) P-C4' energy: -120.409
flat angles C4'-P-C4' energy: -152.007
flat angles P-C4'-P energy: -85.534
tors. eta vs tors. theta energy: -112.857
Dist. restrs. and SS energy: 7.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -2905.683291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2905.683291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2907.520686 (E_RNA)
where:
Base-Base interactions energy: -1998.907
where: short stacking energy: -844.889
Base-Backbone interact. energy: -5.770
local terms energy: -902.843433
where:
bonds (distance) C4'-P energy: -164.333
bonds (distance) P-C4' energy: -163.465
flat angles C4'-P-C4' energy: -192.928
flat angles P-C4'-P energy: -125.812
tors. eta vs tors. theta energy: -256.306
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: 10
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -2799.405343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.405343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.301279 (E_RNA)
where:
Base-Base interactions energy: -1941.829
where: short stacking energy: -812.469
Base-Backbone interact. energy: -2.281
local terms energy: -856.191108
where:
bonds (distance) C4'-P energy: -158.111
bonds (distance) P-C4' energy: -148.905
flat angles C4'-P-C4' energy: -180.504
flat angles P-C4'-P energy: -126.153
tors. eta vs tors. theta energy: -242.518
Dist. restrs. and SS energy: 0.896 (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: 301
Temperature: 1.000000
Total energy: -2705.537541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.537541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.065275 (E_RNA)
where:
Base-Base interactions energy: -1877.192
where: short stacking energy: -777.865
Base-Backbone interact. energy: 4.676
local terms energy: -834.549436
where:
bonds (distance) C4'-P energy: -150.725
bonds (distance) P-C4' energy: -157.196
flat angles C4'-P-C4' energy: -186.158
flat angles P-C4'-P energy: -112.582
tors. eta vs tors. theta energy: -227.889
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: 4, replica: 2
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -2574.827258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.827258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.388399 (E_RNA)
where:
Base-Base interactions energy: -1794.861
where: short stacking energy: -752.454
Base-Backbone interact. energy: -2.289
local terms energy: -779.238854
where:
bonds (distance) C4'-P energy: -127.279
bonds (distance) P-C4' energy: -155.999
flat angles C4'-P-C4' energy: -174.832
flat angles P-C4'-P energy: -113.489
tors. eta vs tors. theta energy: -207.640
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: 1
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -2314.517533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.517533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.512177 (E_RNA)
where:
Base-Base interactions energy: -1598.646
where: short stacking energy: -679.149
Base-Backbone interact. energy: 3.664
local terms energy: -721.530135
where:
bonds (distance) C4'-P energy: -142.751
bonds (distance) P-C4' energy: -132.470
flat angles C4'-P-C4' energy: -168.793
flat angles P-C4'-P energy: -96.240
tors. eta vs tors. theta energy: -181.275
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: 6, replica: 4
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -2239.034974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.034974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.591527 (E_RNA)
where:
Base-Base interactions energy: -1524.001
where: short stacking energy: -641.895
Base-Backbone interact. energy: 1.715
local terms energy: -719.304754
where:
bonds (distance) C4'-P energy: -144.062
bonds (distance) P-C4' energy: -139.465
flat angles C4'-P-C4' energy: -158.118
flat angles P-C4'-P energy: -89.544
tors. eta vs tors. theta energy: -188.115
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: 7, replica: 6
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -2174.506966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.506966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.279823 (E_RNA)
where:
Base-Base interactions energy: -1470.179
where: short stacking energy: -587.182
Base-Backbone interact. energy: -0.671
local terms energy: -705.430241
where:
bonds (distance) C4'-P energy: -123.805
bonds (distance) P-C4' energy: -152.108
flat angles C4'-P-C4' energy: -166.134
flat angles P-C4'-P energy: -88.279
tors. eta vs tors. theta energy: -175.103
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: 8, replica: 3
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -2012.797133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.797133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.587910 (E_RNA)
where:
Base-Base interactions energy: -1383.909
where: short stacking energy: -589.059
Base-Backbone interact. energy: -2.877
local terms energy: -628.801745
where:
bonds (distance) C4'-P energy: -107.851
bonds (distance) P-C4' energy: -117.676
flat angles C4'-P-C4' energy: -164.819
flat angles P-C4'-P energy: -96.407
tors. eta vs tors. theta energy: -142.048
Dist. restrs. and SS energy: 2.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -1943.531683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.531683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.287789 (E_RNA)
where:
Base-Base interactions energy: -1286.525
where: short stacking energy: -558.079
Base-Backbone interact. energy: 2.673
local terms energy: -663.436207
where:
bonds (distance) C4'-P energy: -145.321
bonds (distance) P-C4' energy: -138.585
flat angles C4'-P-C4' energy: -153.994
flat angles P-C4'-P energy: -79.901
tors. eta vs tors. theta energy: -145.637
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: 10, replica: 8
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -1802.228136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.228136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.886047 (E_RNA)
where:
Base-Base interactions energy: -1232.807
where: short stacking energy: -504.834
Base-Backbone interact. energy: 5.169
local terms energy: -578.247585
where:
bonds (distance) C4'-P energy: -121.940
bonds (distance) P-C4' energy: -115.693
flat angles C4'-P-C4' energy: -139.144
flat angles P-C4'-P energy: -74.129
tors. eta vs tors. theta energy: -127.341
Dist. restrs. and SS energy: 3.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -2894.403562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2894.403562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2895.744717 (E_RNA)
where:
Base-Base interactions energy: -2019.700
where: short stacking energy: -849.123
Base-Backbone interact. energy: -5.168
local terms energy: -870.876135
where:
bonds (distance) C4'-P energy: -160.383
bonds (distance) P-C4' energy: -158.293
flat angles C4'-P-C4' energy: -177.645
flat angles P-C4'-P energy: -127.925
tors. eta vs tors. theta energy: -246.630
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: 2, replica: 10
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -2832.445532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.445532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2834.142149 (E_RNA)
where:
Base-Base interactions energy: -1986.007
where: short stacking energy: -829.795
Base-Backbone interact. energy: -0.317
local terms energy: -847.818822
where:
bonds (distance) C4'-P energy: -150.931
bonds (distance) P-C4' energy: -147.480
flat angles C4'-P-C4' energy: -188.780
flat angles P-C4'-P energy: -111.882
tors. eta vs tors. theta energy: -248.746
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: 7
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -2699.928155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.928155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.290138 (E_RNA)
where:
Base-Base interactions energy: -1891.817
where: short stacking energy: -782.559
Base-Backbone interact. energy: 1.356
local terms energy: -810.829639
where:
bonds (distance) C4'-P energy: -147.984
bonds (distance) P-C4' energy: -158.148
flat angles C4'-P-C4' energy: -181.012
flat angles P-C4'-P energy: -107.954
tors. eta vs tors. theta energy: -215.732
Dist. restrs. and SS energy: 1.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -2573.884378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.884378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.886206 (E_RNA)
where:
Base-Base interactions energy: -1778.307
where: short stacking energy: -737.915
Base-Backbone interact. energy: 0.065
local terms energy: -797.643961
where:
bonds (distance) C4'-P energy: -152.956
bonds (distance) P-C4' energy: -165.967
flat angles C4'-P-C4' energy: -170.304
flat angles P-C4'-P energy: -108.295
tors. eta vs tors. theta energy: -200.122
Dist. restrs. and SS energy: 2.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -2334.757031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.757031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.504440 (E_RNA)
where:
Base-Base interactions energy: -1571.857
where: short stacking energy: -703.010
Base-Backbone interact. energy: 1.857
local terms energy: -765.504419
where:
bonds (distance) C4'-P energy: -141.143
bonds (distance) P-C4' energy: -143.809
flat angles C4'-P-C4' energy: -173.979
flat angles P-C4'-P energy: -113.625
tors. eta vs tors. theta energy: -192.949
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: 6, replica: 1
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -2265.750643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.750643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.444772 (E_RNA)
where:
Base-Base interactions energy: -1549.830
where: short stacking energy: -669.694
Base-Backbone interact. energy: 0.578
local terms energy: -719.193052
where:
bonds (distance) C4'-P energy: -150.779
bonds (distance) P-C4' energy: -138.083
flat angles C4'-P-C4' energy: -159.963
flat angles P-C4'-P energy: -94.654
tors. eta vs tors. theta energy: -175.714
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: 6
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -2171.109581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.109581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.563564 (E_RNA)
where:
Base-Base interactions energy: -1506.441
where: short stacking energy: -639.972
Base-Backbone interact. energy: -0.658
local terms energy: -666.464824
where:
bonds (distance) C4'-P energy: -124.727
bonds (distance) P-C4' energy: -121.454
flat angles C4'-P-C4' energy: -155.704
flat angles P-C4'-P energy: -90.774
tors. eta vs tors. theta energy: -173.806
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: 8, replica: 3
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -1992.314053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.314053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.241156 (E_RNA)
where:
Base-Base interactions energy: -1320.253
where: short stacking energy: -548.727
Base-Backbone interact. energy: 2.554
local terms energy: -677.542060
where:
bonds (distance) C4'-P energy: -146.967
bonds (distance) P-C4' energy: -146.296
flat angles C4'-P-C4' energy: -148.887
flat angles P-C4'-P energy: -88.860
tors. eta vs tors. theta energy: -146.532
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: 9, replica: 5
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -1959.487758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.487758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.172639 (E_RNA)
where:
Base-Base interactions energy: -1316.456
where: short stacking energy: -573.463
Base-Backbone interact. energy: -4.325
local terms energy: -641.392384
where:
bonds (distance) C4'-P energy: -118.500
bonds (distance) P-C4' energy: -143.224
flat angles C4'-P-C4' energy: -141.663
flat angles P-C4'-P energy: -84.090
tors. eta vs tors. theta energy: -153.915
Dist. restrs. and SS energy: 2.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -1799.160023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.160023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.004347 (E_RNA)
where:
Base-Base interactions energy: -1217.952
where: short stacking energy: -513.171
Base-Backbone interact. energy: 1.849
local terms energy: -586.900699
where:
bonds (distance) C4'-P energy: -131.683
bonds (distance) P-C4' energy: -133.766
flat angles C4'-P-C4' energy: -125.612
flat angles P-C4'-P energy: -82.628
tors. eta vs tors. theta energy: -113.212
Dist. restrs. and SS energy: 3.844 (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: 303
Temperature: 0.900000
Total energy: -2940.025835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2940.025835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2941.438857 (E_RNA)
where:
Base-Base interactions energy: -2033.310
where: short stacking energy: -881.537
Base-Backbone interact. energy: -2.185
local terms energy: -905.943488
where:
bonds (distance) C4'-P energy: -153.611
bonds (distance) P-C4' energy: -166.328
flat angles C4'-P-C4' energy: -186.894
flat angles P-C4'-P energy: -124.989
tors. eta vs tors. theta energy: -274.121
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: 10
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -2810.882334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.882334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.447110 (E_RNA)
where:
Base-Base interactions energy: -1942.486
where: short stacking energy: -801.058
Base-Backbone interact. energy: -3.535
local terms energy: -866.426489
where:
bonds (distance) C4'-P energy: -164.689
bonds (distance) P-C4' energy: -170.684
flat angles C4'-P-C4' energy: -170.001
flat angles P-C4'-P energy: -112.866
tors. eta vs tors. theta energy: -248.187
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: 3, replica: 7
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -2702.359013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.359013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.340048 (E_RNA)
where:
Base-Base interactions energy: -1883.270
where: short stacking energy: -768.061
Base-Backbone interact. energy: 6.219
local terms energy: -827.289846
where:
bonds (distance) C4'-P energy: -149.307
bonds (distance) P-C4' energy: -162.575
flat angles C4'-P-C4' energy: -179.981
flat angles P-C4'-P energy: -111.744
tors. eta vs tors. theta energy: -223.684
Dist. restrs. and SS energy: 1.981 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -2585.412566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.412566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.992215 (E_RNA)
where:
Base-Base interactions energy: -1802.895
where: short stacking energy: -761.613
Base-Backbone interact. energy: -0.316
local terms energy: -784.781186
where:
bonds (distance) C4'-P energy: -144.517
bonds (distance) P-C4' energy: -152.649
flat angles C4'-P-C4' energy: -165.166
flat angles P-C4'-P energy: -109.628
tors. eta vs tors. theta energy: -212.821
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: 5, replica: 4
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -2331.193775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.193775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.051896 (E_RNA)
where:
Base-Base interactions energy: -1548.279
where: short stacking energy: -667.761
Base-Backbone interact. energy: -4.656
local terms energy: -780.116834
where:
bonds (distance) C4'-P energy: -137.261
bonds (distance) P-C4' energy: -143.486
flat angles C4'-P-C4' energy: -181.615
flat angles P-C4'-P energy: -121.015
tors. eta vs tors. theta energy: -196.740
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: 6, replica: 1
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -2313.503438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.503438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.973316 (E_RNA)
where:
Base-Base interactions energy: -1581.931
where: short stacking energy: -667.298
Base-Backbone interact. energy: -1.586
local terms energy: -732.457116
where:
bonds (distance) C4'-P energy: -138.073
bonds (distance) P-C4' energy: -166.702
flat angles C4'-P-C4' energy: -150.758
flat angles P-C4'-P energy: -101.456
tors. eta vs tors. theta energy: -175.468
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: 6
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -2133.244765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.244765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.241616 (E_RNA)
where:
Base-Base interactions energy: -1459.969
where: short stacking energy: -604.624
Base-Backbone interact. energy: -1.495
local terms energy: -674.777104
where:
bonds (distance) C4'-P energy: -146.989
bonds (distance) P-C4' energy: -111.864
flat angles C4'-P-C4' energy: -154.384
flat angles P-C4'-P energy: -111.436
tors. eta vs tors. theta energy: -150.104
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: 8, replica: 5
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -2003.192612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.192612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.859090 (E_RNA)
where:
Base-Base interactions energy: -1346.758
where: short stacking energy: -578.443
Base-Backbone interact. energy: -0.147
local terms energy: -658.954114
where:
bonds (distance) C4'-P energy: -128.084
bonds (distance) P-C4' energy: -129.803
flat angles C4'-P-C4' energy: -153.841
flat angles P-C4'-P energy: -103.406
tors. eta vs tors. theta energy: -143.821
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: 9, replica: 3
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -1938.775525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.775525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.750518 (E_RNA)
where:
Base-Base interactions energy: -1312.281
where: short stacking energy: -552.125
Base-Backbone interact. energy: 3.663
local terms energy: -633.132180
where:
bonds (distance) C4'-P energy: -127.640
bonds (distance) P-C4' energy: -126.563
flat angles C4'-P-C4' energy: -157.153
flat angles P-C4'-P energy: -83.485
tors. eta vs tors. theta energy: -138.291
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: 10, replica: 8
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -1842.790175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.790175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.710853 (E_RNA)
where:
Base-Base interactions energy: -1268.852
where: short stacking energy: -506.238
Base-Backbone interact. energy: 4.359
local terms energy: -583.217407
where:
bonds (distance) C4'-P energy: -136.331
bonds (distance) P-C4' energy: -113.264
flat angles C4'-P-C4' energy: -133.876
flat angles P-C4'-P energy: -75.954
tors. eta vs tors. theta energy: -123.793
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: 304
Temperature: 0.900000
Total energy: -2915.242674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2915.242674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2916.359041 (E_RNA)
where:
Base-Base interactions energy: -2010.290
where: short stacking energy: -854.323
Base-Backbone interact. energy: -2.985
local terms energy: -903.083243
where:
bonds (distance) C4'-P energy: -151.720
bonds (distance) P-C4' energy: -173.472
flat angles C4'-P-C4' energy: -190.493
flat angles P-C4'-P energy: -127.331
tors. eta vs tors. theta energy: -260.068
Dist. restrs. and SS energy: 1.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -2803.844137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.844137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.474881 (E_RNA)
where:
Base-Base interactions energy: -1971.172
where: short stacking energy: -844.591
Base-Backbone interact. energy: -2.791
local terms energy: -831.511899
where:
bonds (distance) C4'-P energy: -146.618
bonds (distance) P-C4' energy: -155.088
flat angles C4'-P-C4' energy: -182.580
flat angles P-C4'-P energy: -113.183
tors. eta vs tors. theta energy: -234.042
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: 3, replica: 7
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -2749.039483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.039483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.628871 (E_RNA)
where:
Base-Base interactions energy: -1910.268
where: short stacking energy: -778.534
Base-Backbone interact. energy: -0.307
local terms energy: -840.053610
where:
bonds (distance) C4'-P energy: -146.665
bonds (distance) P-C4' energy: -149.216
flat angles C4'-P-C4' energy: -182.256
flat angles P-C4'-P energy: -131.360
tors. eta vs tors. theta energy: -230.555
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: 4, replica: 2
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -2585.087891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.087891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.888498 (E_RNA)
where:
Base-Base interactions energy: -1775.601
where: short stacking energy: -716.827
Base-Backbone interact. energy: -2.749
local terms energy: -808.538948
where:
bonds (distance) C4'-P energy: -139.969
bonds (distance) P-C4' energy: -150.173
flat angles C4'-P-C4' energy: -177.309
flat angles P-C4'-P energy: -126.411
tors. eta vs tors. theta energy: -214.676
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: 5, replica: 1
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -2389.979516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.979516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.440540 (E_RNA)
where:
Base-Base interactions energy: -1645.065
where: short stacking energy: -671.984
Base-Backbone interact. energy: 3.910
local terms energy: -750.285015
where:
bonds (distance) C4'-P energy: -133.806
bonds (distance) P-C4' energy: -146.602
flat angles C4'-P-C4' energy: -164.106
flat angles P-C4'-P energy: -113.810
tors. eta vs tors. theta energy: -191.962
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: 6, replica: 4
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -2254.449145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.449145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.382583 (E_RNA)
where:
Base-Base interactions energy: -1531.250
where: short stacking energy: -645.325
Base-Backbone interact. energy: -1.545
local terms energy: -723.587644
where:
bonds (distance) C4'-P energy: -139.782
bonds (distance) P-C4' energy: -136.700
flat angles C4'-P-C4' energy: -153.085
flat angles P-C4'-P energy: -105.731
tors. eta vs tors. theta energy: -188.290
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: 7, replica: 6
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -2252.818336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.818336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.373886 (E_RNA)
where:
Base-Base interactions energy: -1512.816
where: short stacking energy: -647.603
Base-Backbone interact. energy: -1.226
local terms energy: -743.331670
where:
bonds (distance) C4'-P energy: -136.459
bonds (distance) P-C4' energy: -150.235
flat angles C4'-P-C4' energy: -163.610
flat angles P-C4'-P energy: -105.170
tors. eta vs tors. theta energy: -187.857
Dist. restrs. and SS energy: 4.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -2033.690100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.690100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.767815 (E_RNA)
where:
Base-Base interactions energy: -1380.576
where: short stacking energy: -601.735
Base-Backbone interact. energy: 6.006
local terms energy: -661.197631
where:
bonds (distance) C4'-P energy: -119.177
bonds (distance) P-C4' energy: -146.661
flat angles C4'-P-C4' energy: -146.518
flat angles P-C4'-P energy: -86.961
tors. eta vs tors. theta energy: -161.881
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: 9, replica: 3
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -1923.332330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.332330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.568335 (E_RNA)
where:
Base-Base interactions energy: -1278.515
where: short stacking energy: -540.554
Base-Backbone interact. energy: -1.797
local terms energy: -646.255806
where:
bonds (distance) C4'-P energy: -120.253
bonds (distance) P-C4' energy: -140.269
flat angles C4'-P-C4' energy: -148.627
flat angles P-C4'-P energy: -98.139
tors. eta vs tors. theta energy: -138.968
Dist. restrs. and SS energy: 3.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -1806.344682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.344682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.947317 (E_RNA)
where:
Base-Base interactions energy: -1202.934
where: short stacking energy: -525.486
Base-Backbone interact. energy: 4.402
local terms energy: -617.415757
where:
bonds (distance) C4'-P energy: -121.234
bonds (distance) P-C4' energy: -137.996
flat angles C4'-P-C4' energy: -135.645
flat angles P-C4'-P energy: -99.602
tors. eta vs tors. theta energy: -122.938
Dist. restrs. and SS energy: 9.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -2919.883194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2919.883194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2921.345349 (E_RNA)
where:
Base-Base interactions energy: -2014.718
where: short stacking energy: -878.080
Base-Backbone interact. energy: -4.294
local terms energy: -902.333220
where:
bonds (distance) C4'-P energy: -150.335
bonds (distance) P-C4' energy: -163.668
flat angles C4'-P-C4' energy: -187.246
flat angles P-C4'-P energy: -134.083
tors. eta vs tors. theta energy: -267.002
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: 2, replica: 10
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -2857.986994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2857.986994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2859.383126 (E_RNA)
where:
Base-Base interactions energy: -1985.431
where: short stacking energy: -821.213
Base-Backbone interact. energy: -4.825
local terms energy: -869.127424
where:
bonds (distance) C4'-P energy: -143.965
bonds (distance) P-C4' energy: -162.333
flat angles C4'-P-C4' energy: -186.903
flat angles P-C4'-P energy: -132.189
tors. eta vs tors. theta energy: -243.738
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: 7
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -2737.853665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.853665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.057181 (E_RNA)
where:
Base-Base interactions energy: -1905.527
where: short stacking energy: -789.812
Base-Backbone interact. energy: -2.839
local terms energy: -830.690972
where:
bonds (distance) C4'-P energy: -153.774
bonds (distance) P-C4' energy: -159.582
flat angles C4'-P-C4' energy: -181.053
flat angles P-C4'-P energy: -109.054
tors. eta vs tors. theta energy: -227.228
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: 4, replica: 2
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -2593.098354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.098354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.536172 (E_RNA)
where:
Base-Base interactions energy: -1786.208
where: short stacking energy: -764.739
Base-Backbone interact. energy: -1.012
local terms energy: -808.316239
where:
bonds (distance) C4'-P energy: -136.857
bonds (distance) P-C4' energy: -150.925
flat angles C4'-P-C4' energy: -176.177
flat angles P-C4'-P energy: -121.965
tors. eta vs tors. theta energy: -222.392
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: 5, replica: 1
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -2395.451940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.451940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.580353 (E_RNA)
where:
Base-Base interactions energy: -1657.513
where: short stacking energy: -688.961
Base-Backbone interact. energy: -2.024
local terms energy: -739.043496
where:
bonds (distance) C4'-P energy: -139.348
bonds (distance) P-C4' energy: -142.608
flat angles C4'-P-C4' energy: -163.030
flat angles P-C4'-P energy: -97.703
tors. eta vs tors. theta energy: -196.355
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: 305
Temperature: 1.150000
Total energy: -2260.811625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.811625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.420958 (E_RNA)
where:
Base-Base interactions energy: -1534.060
where: short stacking energy: -639.923
Base-Backbone interact. energy: -1.883
local terms energy: -726.477707
where:
bonds (distance) C4'-P energy: -121.257
bonds (distance) P-C4' energy: -153.525
flat angles C4'-P-C4' energy: -175.088
flat angles P-C4'-P energy: -91.612
tors. eta vs tors. theta energy: -184.996
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: 4
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -2189.786745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.786745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.836397 (E_RNA)
where:
Base-Base interactions energy: -1471.462
where: short stacking energy: -642.639
Base-Backbone interact. energy: -0.987
local terms energy: -720.387505
where:
bonds (distance) C4'-P energy: -110.581
bonds (distance) P-C4' energy: -151.958
flat angles C4'-P-C4' energy: -154.064
flat angles P-C4'-P energy: -112.774
tors. eta vs tors. theta energy: -191.010
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: 8, replica: 5
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -2018.948842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.948842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.629658 (E_RNA)
where:
Base-Base interactions energy: -1368.840
where: short stacking energy: -584.181
Base-Backbone interact. energy: 8.266
local terms energy: -662.055486
where:
bonds (distance) C4'-P energy: -121.695
bonds (distance) P-C4' energy: -148.674
flat angles C4'-P-C4' energy: -138.267
flat angles P-C4'-P energy: -92.544
tors. eta vs tors. theta energy: -160.876
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: 9, replica: 3
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -1937.351766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.351766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.473001 (E_RNA)
where:
Base-Base interactions energy: -1326.447
where: short stacking energy: -568.233
Base-Backbone interact. energy: -2.095
local terms energy: -611.930939
where:
bonds (distance) C4'-P energy: -119.557
bonds (distance) P-C4' energy: -118.561
flat angles C4'-P-C4' energy: -143.083
flat angles P-C4'-P energy: -83.348
tors. eta vs tors. theta energy: -147.382
Dist. restrs. and SS energy: 3.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -1770.358530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.358530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.061146 (E_RNA)
where:
Base-Base interactions energy: -1210.056
where: short stacking energy: -497.937
Base-Backbone interact. energy: 1.960
local terms energy: -566.965414
where:
bonds (distance) C4'-P energy: -127.379
bonds (distance) P-C4' energy: -118.905
flat angles C4'-P-C4' energy: -126.095
flat angles P-C4'-P energy: -73.725
tors. eta vs tors. theta energy: -120.861
Dist. restrs. and SS energy: 4.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -2908.661919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2908.661919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2909.978634 (E_RNA)
where:
Base-Base interactions energy: -2017.479
where: short stacking energy: -856.066
Base-Backbone interact. energy: -0.690
local terms energy: -891.810462
where:
bonds (distance) C4'-P energy: -162.933
bonds (distance) P-C4' energy: -163.381
flat angles C4'-P-C4' energy: -195.508
flat angles P-C4'-P energy: -114.951
tors. eta vs tors. theta energy: -255.037
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: 2, replica: 10
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -2801.542975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.542975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.194540 (E_RNA)
where:
Base-Base interactions energy: -1969.857
where: short stacking energy: -822.191
Base-Backbone interact. energy: -6.241
local terms energy: -827.095901
where:
bonds (distance) C4'-P energy: -142.709
bonds (distance) P-C4' energy: -160.526
flat angles C4'-P-C4' energy: -166.926
flat angles P-C4'-P energy: -127.816
tors. eta vs tors. theta energy: -229.120
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: 7
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -2730.881279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.881279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.655988 (E_RNA)
where:
Base-Base interactions energy: -1913.223
where: short stacking energy: -766.105
Base-Backbone interact. energy: 5.445
local terms energy: -824.877596
where:
bonds (distance) C4'-P energy: -139.992
bonds (distance) P-C4' energy: -154.592
flat angles C4'-P-C4' energy: -174.539
flat angles P-C4'-P energy: -121.738
tors. eta vs tors. theta energy: -234.017
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: 4, replica: 2
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -2635.540895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.540895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.764940 (E_RNA)
where:
Base-Base interactions energy: -1831.108
where: short stacking energy: -772.281
Base-Backbone interact. energy: -2.662
local terms energy: -802.995288
where:
bonds (distance) C4'-P energy: -135.454
bonds (distance) P-C4' energy: -131.514
flat angles C4'-P-C4' energy: -183.693
flat angles P-C4'-P energy: -117.553
tors. eta vs tors. theta energy: -234.780
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: 5, replica: 1
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -2365.433106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.433106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.973456 (E_RNA)
where:
Base-Base interactions energy: -1644.768
where: short stacking energy: -687.890
Base-Backbone interact. energy: 2.339
local terms energy: -725.545314
where:
bonds (distance) C4'-P energy: -132.950
bonds (distance) P-C4' energy: -140.531
flat angles C4'-P-C4' energy: -155.597
flat angles P-C4'-P energy: -98.217
tors. eta vs tors. theta energy: -198.251
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: 6, replica: 6
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -2249.066527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.066527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.497669 (E_RNA)
where:
Base-Base interactions energy: -1559.669
where: short stacking energy: -665.269
Base-Backbone interact. energy: 4.685
local terms energy: -697.513888
where:
bonds (distance) C4'-P energy: -130.972
bonds (distance) P-C4' energy: -143.990
flat angles C4'-P-C4' energy: -150.932
flat angles P-C4'-P energy: -97.810
tors. eta vs tors. theta energy: -173.809
Dist. restrs. and SS energy: 3.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -2194.201153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.201153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.489276 (E_RNA)
where:
Base-Base interactions energy: -1521.748
where: short stacking energy: -638.745
Base-Backbone interact. energy: -0.516
local terms energy: -674.225897
where:
bonds (distance) C4'-P energy: -113.352
bonds (distance) P-C4' energy: -137.940
flat angles C4'-P-C4' energy: -149.201
flat angles P-C4'-P energy: -105.906
tors. eta vs tors. theta energy: -167.826
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: 5
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -2062.188591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.188591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.859756 (E_RNA)
where:
Base-Base interactions energy: -1398.125
where: short stacking energy: -608.729
Base-Backbone interact. energy: 0.695
local terms energy: -668.429791
where:
bonds (distance) C4'-P energy: -126.622
bonds (distance) P-C4' energy: -127.332
flat angles C4'-P-C4' energy: -154.045
flat angles P-C4'-P energy: -103.707
tors. eta vs tors. theta energy: -156.724
Dist. restrs. and SS energy: 3.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -1981.765716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.765716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.861555 (E_RNA)
where:
Base-Base interactions energy: -1346.153
where: short stacking energy: -548.802
Base-Backbone interact. energy: 2.298
local terms energy: -641.005692
where:
bonds (distance) C4'-P energy: -134.576
bonds (distance) P-C4' energy: -138.715
flat angles C4'-P-C4' energy: -139.114
flat angles P-C4'-P energy: -95.184
tors. eta vs tors. theta energy: -133.417
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: 10, replica: 8
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -1792.952351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.952351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.278307 (E_RNA)
where:
Base-Base interactions energy: -1206.290
where: short stacking energy: -471.239
Base-Backbone interact. energy: -0.649
local terms energy: -590.338732
where:
bonds (distance) C4'-P energy: -114.485
bonds (distance) P-C4' energy: -143.962
flat angles C4'-P-C4' energy: -127.231
flat angles P-C4'-P energy: -77.280
tors. eta vs tors. theta energy: -127.381
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: 307
Temperature: 0.900000
Total energy: -2871.694153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2871.694153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2872.919116 (E_RNA)
where:
Base-Base interactions energy: -1978.581
where: short stacking energy: -819.368
Base-Backbone interact. energy: -2.678
local terms energy: -891.660112
where:
bonds (distance) C4'-P energy: -161.704
bonds (distance) P-C4' energy: -167.418
flat angles C4'-P-C4' energy: -190.720
flat angles P-C4'-P energy: -125.566
tors. eta vs tors. theta energy: -246.252
Dist. restrs. and SS energy: 1.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -2821.715511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.715511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.128097 (E_RNA)
where:
Base-Base interactions energy: -1963.798
where: short stacking energy: -828.388
Base-Backbone interact. energy: -1.770
local terms energy: -857.560608
where:
bonds (distance) C4'-P energy: -156.939
bonds (distance) P-C4' energy: -161.393
flat angles C4'-P-C4' energy: -174.213
flat angles P-C4'-P energy: -124.166
tors. eta vs tors. theta energy: -240.850
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: 3, replica: 7
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -2736.026087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.026087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.090211 (E_RNA)
where:
Base-Base interactions energy: -1906.272
where: short stacking energy: -794.945
Base-Backbone interact. energy: -6.931
local terms energy: -824.886447
where:
bonds (distance) C4'-P energy: -137.857
bonds (distance) P-C4' energy: -149.980
flat angles C4'-P-C4' energy: -197.759
flat angles P-C4'-P energy: -101.772
tors. eta vs tors. theta energy: -237.519
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: 4, replica: 2
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -2586.483782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.483782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.683761 (E_RNA)
where:
Base-Base interactions energy: -1789.947
where: short stacking energy: -738.008
Base-Backbone interact. energy: -3.201
local terms energy: -794.535776
where:
bonds (distance) C4'-P energy: -149.068
bonds (distance) P-C4' energy: -153.098
flat angles C4'-P-C4' energy: -176.357
flat angles P-C4'-P energy: -108.092
tors. eta vs tors. theta energy: -207.921
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: 5, replica: 1
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -2407.823243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.823243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.902373 (E_RNA)
where:
Base-Base interactions energy: -1670.262
where: short stacking energy: -717.967
Base-Backbone interact. energy: 0.831
local terms energy: -741.470419
where:
bonds (distance) C4'-P energy: -125.937
bonds (distance) P-C4' energy: -161.918
flat angles C4'-P-C4' energy: -156.118
flat angles P-C4'-P energy: -106.231
tors. eta vs tors. theta energy: -191.267
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: 6, replica: 4
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -2241.551095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.551095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.874593 (E_RNA)
where:
Base-Base interactions energy: -1526.570
where: short stacking energy: -649.287
Base-Backbone interact. energy: -0.519
local terms energy: -716.786315
where:
bonds (distance) C4'-P energy: -142.518
bonds (distance) P-C4' energy: -137.796
flat angles C4'-P-C4' energy: -160.560
flat angles P-C4'-P energy: -99.319
tors. eta vs tors. theta energy: -176.594
Dist. restrs. and SS energy: 2.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -2165.156560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.156560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.763149 (E_RNA)
where:
Base-Base interactions energy: -1491.043
where: short stacking energy: -612.447
Base-Backbone interact. energy: 9.062
local terms energy: -685.782110
where:
bonds (distance) C4'-P energy: -109.136
bonds (distance) P-C4' energy: -156.230
flat angles C4'-P-C4' energy: -163.171
flat angles P-C4'-P energy: -107.915
tors. eta vs tors. theta energy: -149.331
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: 8, replica: 3
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -2081.299391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.299391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.472904 (E_RNA)
where:
Base-Base interactions energy: -1410.813
where: short stacking energy: -578.643
Base-Backbone interact. energy: -0.089
local terms energy: -673.570310
where:
bonds (distance) C4'-P energy: -126.377
bonds (distance) P-C4' energy: -142.898
flat angles C4'-P-C4' energy: -138.808
flat angles P-C4'-P energy: -101.020
tors. eta vs tors. theta energy: -164.467
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: 9, replica: 5
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -1943.842665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.842665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.443491 (E_RNA)
where:
Base-Base interactions energy: -1334.602
where: short stacking energy: -564.074
Base-Backbone interact. energy: 1.295
local terms energy: -615.135924
where:
bonds (distance) C4'-P energy: -124.938
bonds (distance) P-C4' energy: -115.910
flat angles C4'-P-C4' energy: -147.277
flat angles P-C4'-P energy: -85.795
tors. eta vs tors. theta energy: -141.215
Dist. restrs. and SS energy: 4.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -1840.329850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.329850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.304883 (E_RNA)
where:
Base-Base interactions energy: -1219.145
where: short stacking energy: -501.005
Base-Backbone interact. energy: -0.789
local terms energy: -625.370638
where:
bonds (distance) C4'-P energy: -142.072
bonds (distance) P-C4' energy: -144.699
flat angles C4'-P-C4' energy: -120.794
flat angles P-C4'-P energy: -92.621
tors. eta vs tors. theta energy: -125.185
Dist. restrs. and SS energy: 4.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -2868.686319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2868.686319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2869.441342 (E_RNA)
where:
Base-Base interactions energy: -1981.886
where: short stacking energy: -852.210
Base-Backbone interact. energy: -4.047
local terms energy: -883.507505
where:
bonds (distance) C4'-P energy: -166.783
bonds (distance) P-C4' energy: -151.680
flat angles C4'-P-C4' energy: -177.048
flat angles P-C4'-P energy: -132.235
tors. eta vs tors. theta energy: -255.762
Dist. restrs. and SS energy: 0.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -2811.002078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.002078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.974828 (E_RNA)
where:
Base-Base interactions energy: -1981.034
where: short stacking energy: -812.455
Base-Backbone interact. energy: -4.360
local terms energy: -827.580157
where:
bonds (distance) C4'-P energy: -139.293
bonds (distance) P-C4' energy: -136.433
flat angles C4'-P-C4' energy: -181.479
flat angles P-C4'-P energy: -132.997
tors. eta vs tors. theta energy: -237.378
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: 3, replica: 7
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -2762.223248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.223248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2764.227264 (E_RNA)
where:
Base-Base interactions energy: -1923.437
where: short stacking energy: -803.340
Base-Backbone interact. energy: -2.925
local terms energy: -837.865760
where:
bonds (distance) C4'-P energy: -146.713
bonds (distance) P-C4' energy: -150.166
flat angles C4'-P-C4' energy: -189.863
flat angles P-C4'-P energy: -120.087
tors. eta vs tors. theta energy: -231.038
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: 4, replica: 2
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -2604.031470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.031470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.697938 (E_RNA)
where:
Base-Base interactions energy: -1831.848
where: short stacking energy: -755.301
Base-Backbone interact. energy: -0.299
local terms energy: -774.550497
where:
bonds (distance) C4'-P energy: -130.874
bonds (distance) P-C4' energy: -143.964
flat angles C4'-P-C4' energy: -165.243
flat angles P-C4'-P energy: -120.958
tors. eta vs tors. theta energy: -213.511
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: 5, replica: 1
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -2404.246498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.246498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.418537 (E_RNA)
where:
Base-Base interactions energy: -1659.222
where: short stacking energy: -717.236
Base-Backbone interact. energy: 3.494
local terms energy: -750.690101
where:
bonds (distance) C4'-P energy: -136.181
bonds (distance) P-C4' energy: -149.903
flat angles C4'-P-C4' energy: -166.834
flat angles P-C4'-P energy: -94.527
tors. eta vs tors. theta energy: -203.245
Dist. restrs. and SS energy: 2.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -2323.955192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.955192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.466174 (E_RNA)
where:
Base-Base interactions energy: -1564.145
where: short stacking energy: -675.087
Base-Backbone interact. energy: -4.453
local terms energy: -757.868956
where:
bonds (distance) C4'-P energy: -130.560
bonds (distance) P-C4' energy: -153.957
flat angles C4'-P-C4' energy: -173.492
flat angles P-C4'-P energy: -104.971
tors. eta vs tors. theta energy: -194.889
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: 7, replica: 6
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -2134.087405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.087405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.077369 (E_RNA)
where:
Base-Base interactions energy: -1474.553
where: short stacking energy: -615.444
Base-Backbone interact. energy: -4.433
local terms energy: -656.091707
where:
bonds (distance) C4'-P energy: -132.532
bonds (distance) P-C4' energy: -142.326
flat angles C4'-P-C4' energy: -132.953
flat angles P-C4'-P energy: -77.051
tors. eta vs tors. theta energy: -171.228
Dist. restrs. and SS energy: 0.990 (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: 3
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -2076.068677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.068677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.364610 (E_RNA)
where:
Base-Base interactions energy: -1405.934
where: short stacking energy: -578.247
Base-Backbone interact. energy: 6.767
local terms energy: -680.197514
where:
bonds (distance) C4'-P energy: -140.388
bonds (distance) P-C4' energy: -145.416
flat angles C4'-P-C4' energy: -155.360
flat angles P-C4'-P energy: -88.214
tors. eta vs tors. theta energy: -150.818
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: 9, replica: 8
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -1875.214803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.214803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.814706 (E_RNA)
where:
Base-Base interactions energy: -1249.965
where: short stacking energy: -515.051
Base-Backbone interact. energy: -0.399
local terms energy: -631.450556
where:
bonds (distance) C4'-P energy: -134.868
bonds (distance) P-C4' energy: -137.430
flat angles C4'-P-C4' energy: -133.233
flat angles P-C4'-P energy: -100.381
tors. eta vs tors. theta energy: -125.538
Dist. restrs. and SS energy: 6.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -1882.162432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.162432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.266782 (E_RNA)
where:
Base-Base interactions energy: -1243.734
where: short stacking energy: -525.002
Base-Backbone interact. energy: 1.702
local terms energy: -643.234687
where:
bonds (distance) C4'-P energy: -153.545
bonds (distance) P-C4' energy: -133.844
flat angles C4'-P-C4' energy: -130.522
flat angles P-C4'-P energy: -94.660
tors. eta vs tors. theta energy: -130.664
Dist. restrs. and SS energy: 3.104 (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: 9
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -2856.290530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2856.290530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2857.216002 (E_RNA)
where:
Base-Base interactions energy: -1951.922
where: short stacking energy: -835.845
Base-Backbone interact. energy: 1.655
local terms energy: -906.949224
where:
bonds (distance) C4'-P energy: -161.729
bonds (distance) P-C4' energy: -175.526
flat angles C4'-P-C4' energy: -190.664
flat angles P-C4'-P energy: -133.931
tors. eta vs tors. theta energy: -245.099
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: 2, replica: 10
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -2818.839104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.839104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.078186 (E_RNA)
where:
Base-Base interactions energy: -1963.155
where: short stacking energy: -822.422
Base-Backbone interact. energy: -1.175
local terms energy: -856.748795
where:
bonds (distance) C4'-P energy: -143.258
bonds (distance) P-C4' energy: -154.480
flat angles C4'-P-C4' energy: -184.979
flat angles P-C4'-P energy: -118.421
tors. eta vs tors. theta energy: -255.611
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: 3, replica: 7
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -2744.599640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.599640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.028981 (E_RNA)
where:
Base-Base interactions energy: -1916.904
where: short stacking energy: -797.117
Base-Backbone interact. energy: -0.696
local terms energy: -828.428542
where:
bonds (distance) C4'-P energy: -170.185
bonds (distance) P-C4' energy: -132.467
flat angles C4'-P-C4' energy: -167.836
flat angles P-C4'-P energy: -122.288
tors. eta vs tors. theta energy: -235.653
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: 4, replica: 2
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -2604.363723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.363723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.492928 (E_RNA)
where:
Base-Base interactions energy: -1824.310
where: short stacking energy: -747.741
Base-Backbone interact. energy: -0.228
local terms energy: -782.954938
where:
bonds (distance) C4'-P energy: -137.377
bonds (distance) P-C4' energy: -161.873
flat angles C4'-P-C4' energy: -172.564
flat angles P-C4'-P energy: -101.830
tors. eta vs tors. theta energy: -209.312
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: 5, replica: 1
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -2386.778211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.778211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.525645 (E_RNA)
where:
Base-Base interactions energy: -1632.146
where: short stacking energy: -657.124
Base-Backbone interact. energy: 2.024
local terms energy: -758.403421
where:
bonds (distance) C4'-P energy: -151.042
bonds (distance) P-C4' energy: -156.935
flat angles C4'-P-C4' energy: -163.696
flat angles P-C4'-P energy: -95.216
tors. eta vs tors. theta energy: -191.514
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: 6, replica: 4
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -2293.177226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.177226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.433046 (E_RNA)
where:
Base-Base interactions energy: -1540.559
where: short stacking energy: -668.332
Base-Backbone interact. energy: -4.831
local terms energy: -750.043059
where:
bonds (distance) C4'-P energy: -146.067
bonds (distance) P-C4' energy: -149.918
flat angles C4'-P-C4' energy: -157.770
flat angles P-C4'-P energy: -96.245
tors. eta vs tors. theta energy: -200.042
Dist. restrs. and SS energy: 2.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -2151.521999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.521999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.669456 (E_RNA)
where:
Base-Base interactions energy: -1493.341
where: short stacking energy: -637.083
Base-Backbone interact. energy: -0.549
local terms energy: -659.779325
where:
bonds (distance) C4'-P energy: -125.475
bonds (distance) P-C4' energy: -130.688
flat angles C4'-P-C4' energy: -149.255
flat angles P-C4'-P energy: -82.312
tors. eta vs tors. theta energy: -172.050
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: 8, replica: 3
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -2067.524224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.524224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.306542 (E_RNA)
where:
Base-Base interactions energy: -1411.582
where: short stacking energy: -586.057
Base-Backbone interact. energy: -1.040
local terms energy: -656.685094
where:
bonds (distance) C4'-P energy: -140.372
bonds (distance) P-C4' energy: -132.733
flat angles C4'-P-C4' energy: -155.142
flat angles P-C4'-P energy: -89.717
tors. eta vs tors. theta energy: -138.722
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: 9, replica: 8
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -1859.365220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.365220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.970366 (E_RNA)
where:
Base-Base interactions energy: -1279.398
where: short stacking energy: -512.729
Base-Backbone interact. energy: -0.264
local terms energy: -583.308498
where:
bonds (distance) C4'-P energy: -135.359
bonds (distance) P-C4' energy: -128.082
flat angles C4'-P-C4' energy: -140.966
flat angles P-C4'-P energy: -70.387
tors. eta vs tors. theta energy: -108.515
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: 10, replica: 5
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -1884.793505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.793505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.887864 (E_RNA)
where:
Base-Base interactions energy: -1255.791
where: short stacking energy: -509.978
Base-Backbone interact. energy: 0.660
local terms energy: -631.756946
where:
bonds (distance) C4'-P energy: -140.400
bonds (distance) P-C4' energy: -147.491
flat angles C4'-P-C4' energy: -123.648
flat angles P-C4'-P energy: -88.997
tors. eta vs tors. theta energy: -131.221
Dist. restrs. and SS energy: 2.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -2829.574175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2829.574175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.944008 (E_RNA)
where:
Base-Base interactions energy: -1944.721
where: short stacking energy: -825.580
Base-Backbone interact. energy: -4.597
local terms energy: -881.625620
where:
bonds (distance) C4'-P energy: -155.692
bonds (distance) P-C4' energy: -155.313
flat angles C4'-P-C4' energy: -188.632
flat angles P-C4'-P energy: -135.280
tors. eta vs tors. theta energy: -246.708
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: 2, replica: 10
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -2798.406097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.406097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.035398 (E_RNA)
where:
Base-Base interactions energy: -1950.759
where: short stacking energy: -798.865
Base-Backbone interact. energy: 4.266
local terms energy: -853.542542
where:
bonds (distance) C4'-P energy: -155.703
bonds (distance) P-C4' energy: -163.047
flat angles C4'-P-C4' energy: -188.707
flat angles P-C4'-P energy: -116.226
tors. eta vs tors. theta energy: -229.860
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: 3, replica: 7
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -2745.260768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.260768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.905276 (E_RNA)
where:
Base-Base interactions energy: -1899.377
where: short stacking energy: -785.169
Base-Backbone interact. energy: 5.211
local terms energy: -852.739334
where:
bonds (distance) C4'-P energy: -143.333
bonds (distance) P-C4' energy: -169.067
flat angles C4'-P-C4' energy: -179.850
flat angles P-C4'-P energy: -117.513
tors. eta vs tors. theta energy: -242.975
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: 4, replica: 2
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -2596.577995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.577995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.357252 (E_RNA)
where:
Base-Base interactions energy: -1824.481
where: short stacking energy: -778.189
Base-Backbone interact. energy: -1.939
local terms energy: -772.937361
where:
bonds (distance) C4'-P energy: -131.713
bonds (distance) P-C4' energy: -147.203
flat angles C4'-P-C4' energy: -178.912
flat angles P-C4'-P energy: -110.938
tors. eta vs tors. theta energy: -204.172
Dist. restrs. and SS energy: 2.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -2403.232178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.232178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.424045 (E_RNA)
where:
Base-Base interactions energy: -1630.161
where: short stacking energy: -691.316
Base-Backbone interact. energy: 0.507
local terms energy: -775.769806
where:
bonds (distance) C4'-P energy: -135.314
bonds (distance) P-C4' energy: -160.853
flat angles C4'-P-C4' energy: -163.856
flat angles P-C4'-P energy: -108.990
tors. eta vs tors. theta energy: -206.757
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: 4
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -2233.589618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.589618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.928532 (E_RNA)
where:
Base-Base interactions energy: -1513.230
where: short stacking energy: -636.789
Base-Backbone interact. energy: -1.056
local terms energy: -721.643373
where:
bonds (distance) C4'-P energy: -145.504
bonds (distance) P-C4' energy: -147.987
flat angles C4'-P-C4' energy: -161.704
flat angles P-C4'-P energy: -89.200
tors. eta vs tors. theta energy: -177.248
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: 7, replica: 6
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -2166.617135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.617135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.823733 (E_RNA)
where:
Base-Base interactions energy: -1488.770
where: short stacking energy: -635.754
Base-Backbone interact. energy: -0.063
local terms energy: -678.990417
where:
bonds (distance) C4'-P energy: -121.018
bonds (distance) P-C4' energy: -128.810
flat angles C4'-P-C4' energy: -141.237
flat angles P-C4'-P energy: -102.037
tors. eta vs tors. theta energy: -185.888
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: 8, replica: 3
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -2082.142792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.142792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.281027 (E_RNA)
where:
Base-Base interactions energy: -1442.710
where: short stacking energy: -590.371
Base-Backbone interact. energy: 5.466
local terms energy: -648.037627
where:
bonds (distance) C4'-P energy: -106.822
bonds (distance) P-C4' energy: -114.252
flat angles C4'-P-C4' energy: -158.602
flat angles P-C4'-P energy: -111.850
tors. eta vs tors. theta energy: -156.512
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: 9, replica: 5
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -1917.329496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.329496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.577819 (E_RNA)
where:
Base-Base interactions energy: -1296.757
where: short stacking energy: -536.810
Base-Backbone interact. energy: -2.648
local terms energy: -620.173113
where:
bonds (distance) C4'-P energy: -123.634
bonds (distance) P-C4' energy: -145.068
flat angles C4'-P-C4' energy: -119.570
flat angles P-C4'-P energy: -91.809
tors. eta vs tors. theta energy: -140.092
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: 10, replica: 8
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -1842.669560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.669560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.965379 (E_RNA)
where:
Base-Base interactions energy: -1259.738
where: short stacking energy: -521.080
Base-Backbone interact. energy: 11.853
local terms energy: -603.080251
where:
bonds (distance) C4'-P energy: -130.152
bonds (distance) P-C4' energy: -135.567
flat angles C4'-P-C4' energy: -136.827
flat angles P-C4'-P energy: -70.219
tors. eta vs tors. theta energy: -130.316
Dist. restrs. and SS energy: 8.296 (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: 311
Temperature: 0.900000
Total energy: -2881.606778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2881.606778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2883.233529 (E_RNA)
where:
Base-Base interactions energy: -1996.315
where: short stacking energy: -834.535
Base-Backbone interact. energy: -2.293
local terms energy: -884.625149
where:
bonds (distance) C4'-P energy: -169.764
bonds (distance) P-C4' energy: -165.028
flat angles C4'-P-C4' energy: -181.452
flat angles P-C4'-P energy: -120.714
tors. eta vs tors. theta energy: -247.666
Dist. restrs. and SS energy: 1.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -2811.297996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.297996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.793178 (E_RNA)
where:
Base-Base interactions energy: -1957.003
where: short stacking energy: -808.553
Base-Backbone interact. energy: -3.340
local terms energy: -852.449975
where:
bonds (distance) C4'-P energy: -156.669
bonds (distance) P-C4' energy: -153.258
flat angles C4'-P-C4' energy: -183.073
flat angles P-C4'-P energy: -120.984
tors. eta vs tors. theta energy: -238.467
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: 3, replica: 10
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -2732.182003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.182003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.289991 (E_RNA)
where:
Base-Base interactions energy: -1934.871
where: short stacking energy: -793.210
Base-Backbone interact. energy: -0.952
local terms energy: -797.467185
where:
bonds (distance) C4'-P energy: -152.928
bonds (distance) P-C4' energy: -127.133
flat angles C4'-P-C4' energy: -182.065
flat angles P-C4'-P energy: -103.834
tors. eta vs tors. theta energy: -231.508
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: 4, replica: 2
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -2625.256601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.256601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.541931 (E_RNA)
where:
Base-Base interactions energy: -1818.698
where: short stacking energy: -774.396
Base-Backbone interact. energy: -5.199
local terms energy: -804.644320
where:
bonds (distance) C4'-P energy: -142.569
bonds (distance) P-C4' energy: -145.473
flat angles C4'-P-C4' energy: -177.285
flat angles P-C4'-P energy: -124.952
tors. eta vs tors. theta energy: -214.365
Dist. restrs. and SS energy: 3.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -2421.958987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.958987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.056378 (E_RNA)
where:
Base-Base interactions energy: -1668.296
where: short stacking energy: -720.047
Base-Backbone interact. energy: 4.128
local terms energy: -761.888743
where:
bonds (distance) C4'-P energy: -151.215
bonds (distance) P-C4' energy: -143.956
flat angles C4'-P-C4' energy: -164.546
flat angles P-C4'-P energy: -104.416
tors. eta vs tors. theta energy: -197.756
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: 6, replica: 4
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -2302.112942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.112942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.442919 (E_RNA)
where:
Base-Base interactions energy: -1570.842
where: short stacking energy: -691.236
Base-Backbone interact. energy: 1.487
local terms energy: -736.088308
where:
bonds (distance) C4'-P energy: -132.050
bonds (distance) P-C4' energy: -156.122
flat angles C4'-P-C4' energy: -157.887
flat angles P-C4'-P energy: -84.612
tors. eta vs tors. theta energy: -205.418
Dist. restrs. and SS energy: 3.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -2148.143426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.143426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.161062 (E_RNA)
where:
Base-Base interactions energy: -1459.238
where: short stacking energy: -609.660
Base-Backbone interact. energy: -3.234
local terms energy: -688.688488
where:
bonds (distance) C4'-P energy: -142.233
bonds (distance) P-C4' energy: -148.072
flat angles C4'-P-C4' energy: -149.410
flat angles P-C4'-P energy: -102.817
tors. eta vs tors. theta energy: -146.158
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: 8, replica: 3
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -2107.819781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.819781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.880659 (E_RNA)
where:
Base-Base interactions energy: -1465.403
where: short stacking energy: -607.016
Base-Backbone interact. energy: -2.409
local terms energy: -643.068396
where:
bonds (distance) C4'-P energy: -132.659
bonds (distance) P-C4' energy: -136.814
flat angles C4'-P-C4' energy: -125.657
flat angles P-C4'-P energy: -86.058
tors. eta vs tors. theta energy: -161.880
Dist. restrs. and SS energy: 3.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -1947.663920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.663920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.808850 (E_RNA)
where:
Base-Base interactions energy: -1341.128
where: short stacking energy: -563.018
Base-Backbone interact. energy: -1.104
local terms energy: -609.577240
where:
bonds (distance) C4'-P energy: -117.234
bonds (distance) P-C4' energy: -126.993
flat angles C4'-P-C4' energy: -126.250
flat angles P-C4'-P energy: -101.700
tors. eta vs tors. theta energy: -137.400
Dist. restrs. and SS energy: 4.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -1819.838393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.838393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.944366 (E_RNA)
where:
Base-Base interactions energy: -1279.104
where: short stacking energy: -511.393
Base-Backbone interact. energy: -0.889
local terms energy: -543.951158
where:
bonds (distance) C4'-P energy: -128.401
bonds (distance) P-C4' energy: -101.985
flat angles C4'-P-C4' energy: -137.698
flat angles P-C4'-P energy: -70.689
tors. eta vs tors. theta energy: -105.179
Dist. restrs. and SS energy: 4.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -2894.385299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2894.385299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2895.844622 (E_RNA)
where:
Base-Base interactions energy: -2021.021
where: short stacking energy: -825.537
Base-Backbone interact. energy: -2.831
local terms energy: -871.992948
where:
bonds (distance) C4'-P energy: -153.306
bonds (distance) P-C4' energy: -175.494
flat angles C4'-P-C4' energy: -190.597
flat angles P-C4'-P energy: -115.506
tors. eta vs tors. theta energy: -237.089
Dist. restrs. and SS energy: 1.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -2833.113363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2833.113363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2834.465903 (E_RNA)
where:
Base-Base interactions energy: -1965.741
where: short stacking energy: -843.146
Base-Backbone interact. energy: -2.292
local terms energy: -866.432704
where:
bonds (distance) C4'-P energy: -171.273
bonds (distance) P-C4' energy: -148.305
flat angles C4'-P-C4' energy: -178.011
flat angles P-C4'-P energy: -111.998
tors. eta vs tors. theta energy: -256.846
Dist. restrs. and SS energy: 1.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -2735.380184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.380184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.174340 (E_RNA)
where:
Base-Base interactions energy: -1906.516
where: short stacking energy: -790.531
Base-Backbone interact. energy: -1.841
local terms energy: -828.817987
where:
bonds (distance) C4'-P energy: -156.727
bonds (distance) P-C4' energy: -143.948
flat angles C4'-P-C4' energy: -188.254
flat angles P-C4'-P energy: -110.506
tors. eta vs tors. theta energy: -229.383
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: 4, replica: 2
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -2626.400923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.400923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.258127 (E_RNA)
where:
Base-Base interactions energy: -1829.553
where: short stacking energy: -734.570
Base-Backbone interact. energy: 1.396
local terms energy: -801.101076
where:
bonds (distance) C4'-P energy: -161.506
bonds (distance) P-C4' energy: -148.314
flat angles C4'-P-C4' energy: -171.691
flat angles P-C4'-P energy: -102.079
tors. eta vs tors. theta energy: -217.510
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: 5, replica: 1
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -2374.246849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.246849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.062032 (E_RNA)
where:
Base-Base interactions energy: -1582.447
where: short stacking energy: -665.867
Base-Backbone interact. energy: 0.566
local terms energy: -794.180851
where:
bonds (distance) C4'-P energy: -150.275
bonds (distance) P-C4' energy: -166.778
flat angles C4'-P-C4' energy: -162.324
flat angles P-C4'-P energy: -99.653
tors. eta vs tors. theta energy: -215.150
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: 6, replica: 4
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -2281.409939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.409939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.241063 (E_RNA)
where:
Base-Base interactions energy: -1571.117
where: short stacking energy: -674.665
Base-Backbone interact. energy: 2.035
local terms energy: -715.159585
where:
bonds (distance) C4'-P energy: -124.070
bonds (distance) P-C4' energy: -122.834
flat angles C4'-P-C4' energy: -161.337
flat angles P-C4'-P energy: -107.654
tors. eta vs tors. theta energy: -199.265
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: 7, replica: 3
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -2194.593683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.593683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.145669 (E_RNA)
where:
Base-Base interactions energy: -1472.422
where: short stacking energy: -619.433
Base-Backbone interact. energy: 2.280
local terms energy: -726.003502
where:
bonds (distance) C4'-P energy: -148.637
bonds (distance) P-C4' energy: -160.860
flat angles C4'-P-C4' energy: -155.967
flat angles P-C4'-P energy: -98.804
tors. eta vs tors. theta energy: -161.735
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: 8, replica: 6
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -2167.382025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.382025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.441404 (E_RNA)
where:
Base-Base interactions energy: -1530.244
where: short stacking energy: -644.347
Base-Backbone interact. energy: 1.720
local terms energy: -641.917273
where:
bonds (distance) C4'-P energy: -116.262
bonds (distance) P-C4' energy: -140.560
flat angles C4'-P-C4' energy: -142.972
flat angles P-C4'-P energy: -71.887
tors. eta vs tors. theta energy: -170.237
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: 9, replica: 5
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -1928.594115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.594115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.539361 (E_RNA)
where:
Base-Base interactions energy: -1309.140
where: short stacking energy: -562.551
Base-Backbone interact. energy: 1.324
local terms energy: -623.723498
where:
bonds (distance) C4'-P energy: -124.974
bonds (distance) P-C4' energy: -133.009
flat angles C4'-P-C4' energy: -139.256
flat angles P-C4'-P energy: -90.035
tors. eta vs tors. theta energy: -136.450
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: 10, replica: 8
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -1818.460072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.460072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.051144 (E_RNA)
where:
Base-Base interactions energy: -1231.050
where: short stacking energy: -492.822
Base-Backbone interact. energy: 6.712
local terms energy: -601.712916
where:
bonds (distance) C4'-P energy: -130.736
bonds (distance) P-C4' energy: -135.871
flat angles C4'-P-C4' energy: -139.901
flat angles P-C4'-P energy: -80.868
tors. eta vs tors. theta energy: -114.337
Dist. restrs. and SS energy: 7.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -2895.031806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2895.031806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2897.215842 (E_RNA)
where:
Base-Base interactions energy: -2036.504
where: short stacking energy: -836.913
Base-Backbone interact. energy: -4.854
local terms energy: -855.857327
where:
bonds (distance) C4'-P energy: -148.217
bonds (distance) P-C4' energy: -159.744
flat angles C4'-P-C4' energy: -179.142
flat angles P-C4'-P energy: -128.711
tors. eta vs tors. theta energy: -240.043
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: 2, replica: 9
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -2817.900216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.900216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.154781 (E_RNA)
where:
Base-Base interactions energy: -1944.468
where: short stacking energy: -819.351
Base-Backbone interact. energy: -2.621
local terms energy: -872.065728
where:
bonds (distance) C4'-P energy: -153.035
bonds (distance) P-C4' energy: -172.946
flat angles C4'-P-C4' energy: -175.024
flat angles P-C4'-P energy: -122.639
tors. eta vs tors. theta energy: -248.422
Dist. restrs. and SS energy: 1.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -2733.811716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.811716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.919695 (E_RNA)
where:
Base-Base interactions energy: -1908.425
where: short stacking energy: -801.475
Base-Backbone interact. energy: 5.785
local terms energy: -833.279592
where:
bonds (distance) C4'-P energy: -144.257
bonds (distance) P-C4' energy: -157.011
flat angles C4'-P-C4' energy: -180.802
flat angles P-C4'-P energy: -121.913
tors. eta vs tors. theta energy: -229.295
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: 2
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -2621.498070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.498070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.436986 (E_RNA)
where:
Base-Base interactions energy: -1806.585
where: short stacking energy: -743.081
Base-Backbone interact. energy: -1.026
local terms energy: -816.826209
where:
bonds (distance) C4'-P energy: -158.190
bonds (distance) P-C4' energy: -144.366
flat angles C4'-P-C4' energy: -162.614
flat angles P-C4'-P energy: -128.277
tors. eta vs tors. theta energy: -223.379
Dist. restrs. and SS energy: 2.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -2401.638194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.638194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.919992 (E_RNA)
where:
Base-Base interactions energy: -1668.385
where: short stacking energy: -711.266
Base-Backbone interact. energy: 0.549
local terms energy: -735.083852
where:
bonds (distance) C4'-P energy: -137.831
bonds (distance) P-C4' energy: -139.097
flat angles C4'-P-C4' energy: -156.091
flat angles P-C4'-P energy: -113.421
tors. eta vs tors. theta energy: -188.644
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: 6, replica: 4
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -2307.807426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.807426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.094123 (E_RNA)
where:
Base-Base interactions energy: -1591.720
where: short stacking energy: -641.411
Base-Backbone interact. energy: -2.796
local terms energy: -716.578213
where:
bonds (distance) C4'-P energy: -143.000
bonds (distance) P-C4' energy: -125.159
flat angles C4'-P-C4' energy: -159.268
flat angles P-C4'-P energy: -105.774
tors. eta vs tors. theta energy: -183.377
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: 7, replica: 3
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -2198.952605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.952605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.898473 (E_RNA)
where:
Base-Base interactions energy: -1516.667
where: short stacking energy: -638.395
Base-Backbone interact. energy: -1.507
local terms energy: -684.724644
where:
bonds (distance) C4'-P energy: -134.815
bonds (distance) P-C4' energy: -132.130
flat angles C4'-P-C4' energy: -156.467
flat angles P-C4'-P energy: -93.136
tors. eta vs tors. theta energy: -168.177
Dist. restrs. and SS energy: 3.946 (S_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: 313
Temperature: 1.250000
Total energy: -2084.989980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.989980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.659470 (E_RNA)
where:
Base-Base interactions energy: -1451.295
where: short stacking energy: -598.930
Base-Backbone interact. energy: -0.665
local terms energy: -635.698964
where:
bonds (distance) C4'-P energy: -125.709
bonds (distance) P-C4' energy: -127.385
flat angles C4'-P-C4' energy: -151.061
flat angles P-C4'-P energy: -92.951
tors. eta vs tors. theta energy: -138.593
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: 9, replica: 5
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -1964.380336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.380336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.084248 (E_RNA)
where:
Base-Base interactions energy: -1331.402
where: short stacking energy: -547.184
Base-Backbone interact. energy: -2.079
local terms energy: -634.603145
where:
bonds (distance) C4'-P energy: -154.393
bonds (distance) P-C4' energy: -116.838
flat angles C4'-P-C4' energy: -142.866
flat angles P-C4'-P energy: -82.739
tors. eta vs tors. theta energy: -137.767
Dist. restrs. and SS energy: 3.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -1896.575671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.575671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.520759 (E_RNA)
where:
Base-Base interactions energy: -1313.294
where: short stacking energy: -542.869
Base-Backbone interact. energy: -2.339
local terms energy: -588.887918
where:
bonds (distance) C4'-P energy: -132.247
bonds (distance) P-C4' energy: -117.422
flat angles C4'-P-C4' energy: -131.902
flat angles P-C4'-P energy: -72.071
tors. eta vs tors. theta energy: -135.247
Dist. restrs. and SS energy: 7.945 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -2894.797055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2894.797055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2896.387461 (E_RNA)
where:
Base-Base interactions energy: -2033.162
where: short stacking energy: -830.142
Base-Backbone interact. energy: -3.175
local terms energy: -860.050952
where:
bonds (distance) C4'-P energy: -153.110
bonds (distance) P-C4' energy: -152.623
flat angles C4'-P-C4' energy: -192.480
flat angles P-C4'-P energy: -116.064
tors. eta vs tors. theta energy: -245.774
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: 2, replica: 9
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -2840.490510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.490510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2841.546770 (E_RNA)
where:
Base-Base interactions energy: -1962.520
where: short stacking energy: -836.860
Base-Backbone interact. energy: -2.374
local terms energy: -876.652568
where:
bonds (distance) C4'-P energy: -151.661
bonds (distance) P-C4' energy: -168.138
flat angles C4'-P-C4' energy: -180.291
flat angles P-C4'-P energy: -121.780
tors. eta vs tors. theta energy: -254.784
Dist. restrs. and SS energy: 1.056 (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: 10
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -2741.474629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.474629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.662722 (E_RNA)
where:
Base-Base interactions energy: -1919.343
where: short stacking energy: -806.408
Base-Backbone interact. energy: -4.706
local terms energy: -818.614338
where:
bonds (distance) C4'-P energy: -142.723
bonds (distance) P-C4' energy: -159.570
flat angles C4'-P-C4' energy: -173.874
flat angles P-C4'-P energy: -114.159
tors. eta vs tors. theta energy: -228.288
Dist. restrs. and SS energy: 1.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -2613.407283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.407283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.754544 (E_RNA)
where:
Base-Base interactions energy: -1816.281
where: short stacking energy: -727.243
Base-Backbone interact. energy: -2.591
local terms energy: -796.882809
where:
bonds (distance) C4'-P energy: -139.698
bonds (distance) P-C4' energy: -160.297
flat angles C4'-P-C4' energy: -161.101
flat angles P-C4'-P energy: -115.193
tors. eta vs tors. theta energy: -220.594
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: 5, replica: 1
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -2403.586519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.586519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.979706 (E_RNA)
where:
Base-Base interactions energy: -1620.534
where: short stacking energy: -701.839
Base-Backbone interact. energy: 1.268
local terms energy: -786.713245
where:
bonds (distance) C4'-P energy: -145.188
bonds (distance) P-C4' energy: -146.544
flat angles C4'-P-C4' energy: -169.833
flat angles P-C4'-P energy: -119.683
tors. eta vs tors. theta energy: -205.466
Dist. restrs. and SS energy: 2.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -2286.596506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.596506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.341208 (E_RNA)
where:
Base-Base interactions energy: -1565.217
where: short stacking energy: -669.732
Base-Backbone interact. energy: -2.735
local terms energy: -723.388896
where:
bonds (distance) C4'-P energy: -138.916
bonds (distance) P-C4' energy: -147.231
flat angles C4'-P-C4' energy: -144.824
flat angles P-C4'-P energy: -103.357
tors. eta vs tors. theta energy: -189.061
Dist. restrs. and SS energy: 4.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -2189.798615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.798615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.116653 (E_RNA)
where:
Base-Base interactions energy: -1526.605
where: short stacking energy: -646.362
Base-Backbone interact. energy: 0.655
local terms energy: -667.166739
where:
bonds (distance) C4'-P energy: -129.310
bonds (distance) P-C4' energy: -126.093
flat angles C4'-P-C4' energy: -151.171
flat angles P-C4'-P energy: -96.139
tors. eta vs tors. theta energy: -164.454
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: 8, replica: 6
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -2106.299094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.299094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.660814 (E_RNA)
where:
Base-Base interactions energy: -1419.577
where: short stacking energy: -616.541
Base-Backbone interact. energy: -0.194
local terms energy: -688.889817
where:
bonds (distance) C4'-P energy: -145.697
bonds (distance) P-C4' energy: -132.610
flat angles C4'-P-C4' energy: -159.072
flat angles P-C4'-P energy: -88.855
tors. eta vs tors. theta energy: -162.656
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: 9, replica: 5
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -1941.643009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.643009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.107268 (E_RNA)
where:
Base-Base interactions energy: -1313.374
where: short stacking energy: -556.245
Base-Backbone interact. energy: 0.795
local terms energy: -636.528068
where:
bonds (distance) C4'-P energy: -138.909
bonds (distance) P-C4' energy: -125.170
flat angles C4'-P-C4' energy: -146.979
flat angles P-C4'-P energy: -80.105
tors. eta vs tors. theta energy: -145.364
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: 10, replica: 8
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -1879.691433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.691433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.452711 (E_RNA)
where:
Base-Base interactions energy: -1283.760
where: short stacking energy: -544.981
Base-Backbone interact. energy: 2.603
local terms energy: -602.295709
where:
bonds (distance) C4'-P energy: -124.456
bonds (distance) P-C4' energy: -121.005
flat angles C4'-P-C4' energy: -144.759
flat angles P-C4'-P energy: -82.370
tors. eta vs tors. theta energy: -129.706
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: 1, replica: 7
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -2892.455096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2892.455096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2893.392392 (E_RNA)
where:
Base-Base interactions energy: -2030.334
where: short stacking energy: -854.810
Base-Backbone interact. energy: -6.126
local terms energy: -856.932423
where:
bonds (distance) C4'-P energy: -155.840
bonds (distance) P-C4' energy: -153.761
flat angles C4'-P-C4' energy: -181.296
flat angles P-C4'-P energy: -129.717
tors. eta vs tors. theta energy: -236.317
Dist. restrs. and SS energy: 0.937 (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: 9
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -2813.035248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.035248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.276194 (E_RNA)
where:
Base-Base interactions energy: -1949.473
where: short stacking energy: -818.785
Base-Backbone interact. energy: -5.059
local terms energy: -859.743572
where:
bonds (distance) C4'-P energy: -150.692
bonds (distance) P-C4' energy: -160.089
flat angles C4'-P-C4' energy: -177.146
flat angles P-C4'-P energy: -125.442
tors. eta vs tors. theta energy: -246.374
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: 3, replica: 10
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -2757.835554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.835554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.304813 (E_RNA)
where:
Base-Base interactions energy: -1960.589
where: short stacking energy: -798.203
Base-Backbone interact. energy: -5.656
local terms energy: -794.059839
where:
bonds (distance) C4'-P energy: -148.376
bonds (distance) P-C4' energy: -143.503
flat angles C4'-P-C4' energy: -171.163
flat angles P-C4'-P energy: -104.495
tors. eta vs tors. theta energy: -226.523
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: 4, replica: 2
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -2591.252848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.252848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.777542 (E_RNA)
where:
Base-Base interactions energy: -1789.160
where: short stacking energy: -749.897
Base-Backbone interact. energy: -0.631
local terms energy: -803.986092
where:
bonds (distance) C4'-P energy: -148.747
bonds (distance) P-C4' energy: -150.614
flat angles C4'-P-C4' energy: -177.303
flat angles P-C4'-P energy: -107.335
tors. eta vs tors. theta energy: -219.987
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: 5, replica: 1
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -2467.431050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.431050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.906298 (E_RNA)
where:
Base-Base interactions energy: -1681.789
where: short stacking energy: -721.781
Base-Backbone interact. energy: -0.196
local terms energy: -786.920664
where:
bonds (distance) C4'-P energy: -140.504
bonds (distance) P-C4' energy: -150.236
flat angles C4'-P-C4' energy: -173.994
flat angles P-C4'-P energy: -114.365
tors. eta vs tors. theta energy: -207.821
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: 6, replica: 3
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -2289.943757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.943757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.006322 (E_RNA)
where:
Base-Base interactions energy: -1541.302
where: short stacking energy: -668.540
Base-Backbone interact. energy: -1.743
local terms energy: -749.961725
where:
bonds (distance) C4'-P energy: -143.880
bonds (distance) P-C4' energy: -130.429
flat angles C4'-P-C4' energy: -170.922
flat angles P-C4'-P energy: -106.855
tors. eta vs tors. theta energy: -197.875
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: 7, replica: 4
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -2222.566360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.566360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.781103 (E_RNA)
where:
Base-Base interactions energy: -1503.055
where: short stacking energy: -648.365
Base-Backbone interact. energy: -3.090
local terms energy: -719.635726
where:
bonds (distance) C4'-P energy: -122.765
bonds (distance) P-C4' energy: -144.765
flat angles C4'-P-C4' energy: -159.880
flat angles P-C4'-P energy: -101.465
tors. eta vs tors. theta energy: -190.762
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: 8, replica: 6
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -2074.388154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.388154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.080230 (E_RNA)
where:
Base-Base interactions energy: -1428.001
where: short stacking energy: -596.476
Base-Backbone interact. energy: -0.575
local terms energy: -649.503891
where:
bonds (distance) C4'-P energy: -136.425
bonds (distance) P-C4' energy: -136.459
flat angles C4'-P-C4' energy: -133.615
flat angles P-C4'-P energy: -93.034
tors. eta vs tors. theta energy: -149.971
Dist. restrs. and SS energy: 3.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -1957.709884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.709884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.308473 (E_RNA)
where:
Base-Base interactions energy: -1350.389
where: short stacking energy: -573.822
Base-Backbone interact. energy: 0.544
local terms energy: -610.463576
where:
bonds (distance) C4'-P energy: -103.698
bonds (distance) P-C4' energy: -146.779
flat angles C4'-P-C4' energy: -129.345
flat angles P-C4'-P energy: -81.173
tors. eta vs tors. theta energy: -149.469
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: 8
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -1818.202178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.202178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.098875 (E_RNA)
where:
Base-Base interactions energy: -1229.701
where: short stacking energy: -531.848
Base-Backbone interact. energy: 11.080
local terms energy: -605.477207
where:
bonds (distance) C4'-P energy: -114.441
bonds (distance) P-C4' energy: -127.391
flat angles C4'-P-C4' energy: -141.448
flat angles P-C4'-P energy: -97.851
tors. eta vs tors. theta energy: -124.346
Dist. restrs. and SS energy: 5.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -2863.310624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2863.310624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2864.700155 (E_RNA)
where:
Base-Base interactions energy: -2002.147
where: short stacking energy: -829.280
Base-Backbone interact. energy: 0.653
local terms energy: -863.205945
where:
bonds (distance) C4'-P energy: -160.735
bonds (distance) P-C4' energy: -151.740
flat angles C4'-P-C4' energy: -180.296
flat angles P-C4'-P energy: -122.340
tors. eta vs tors. theta energy: -248.095
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: 2, replica: 9
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -2763.996896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2763.996896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.149876 (E_RNA)
where:
Base-Base interactions energy: -1923.091
where: short stacking energy: -803.832
Base-Backbone interact. energy: -0.550
local terms energy: -841.509486
where:
bonds (distance) C4'-P energy: -157.893
bonds (distance) P-C4' energy: -158.064
flat angles C4'-P-C4' energy: -174.905
flat angles P-C4'-P energy: -117.966
tors. eta vs tors. theta energy: -232.681
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: 3, replica: 10
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -2751.613281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.613281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.084203 (E_RNA)
where:
Base-Base interactions energy: -1928.253
where: short stacking energy: -808.343
Base-Backbone interact. energy: -5.518
local terms energy: -819.313731
where:
bonds (distance) C4'-P energy: -148.178
bonds (distance) P-C4' energy: -152.518
flat angles C4'-P-C4' energy: -176.984
flat angles P-C4'-P energy: -110.938
tors. eta vs tors. theta energy: -230.695
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: 2
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -2603.766874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.766874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.489296 (E_RNA)
where:
Base-Base interactions energy: -1796.000
where: short stacking energy: -752.007
Base-Backbone interact. energy: -0.241
local terms energy: -809.247688
where:
bonds (distance) C4'-P energy: -155.691
bonds (distance) P-C4' energy: -154.838
flat angles C4'-P-C4' energy: -176.677
flat angles P-C4'-P energy: -105.978
tors. eta vs tors. theta energy: -216.063
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: 1
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -2402.575346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.575346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.946814 (E_RNA)
where:
Base-Base interactions energy: -1622.325
where: short stacking energy: -682.539
Base-Backbone interact. energy: 0.467
local terms energy: -782.089455
where:
bonds (distance) C4'-P energy: -154.559
bonds (distance) P-C4' energy: -151.358
flat angles C4'-P-C4' energy: -166.025
flat angles P-C4'-P energy: -109.559
tors. eta vs tors. theta energy: -200.588
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: 6, replica: 3
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -2250.137195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.137195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.408499 (E_RNA)
where:
Base-Base interactions energy: -1520.009
where: short stacking energy: -647.077
Base-Backbone interact. energy: -0.090
local terms energy: -732.310001
where:
bonds (distance) C4'-P energy: -149.385
bonds (distance) P-C4' energy: -147.331
flat angles C4'-P-C4' energy: -156.649
flat angles P-C4'-P energy: -95.228
tors. eta vs tors. theta energy: -183.717
Dist. restrs. and SS energy: 2.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -2235.565817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.565817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.772383 (E_RNA)
where:
Base-Base interactions energy: -1502.373
where: short stacking energy: -645.601
Base-Backbone interact. energy: -1.575
local terms energy: -734.824584
where:
bonds (distance) C4'-P energy: -114.504
bonds (distance) P-C4' energy: -152.865
flat angles C4'-P-C4' energy: -173.317
flat angles P-C4'-P energy: -101.051
tors. eta vs tors. theta energy: -193.087
Dist. restrs. and SS energy: 3.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -2116.576435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.576435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.299725 (E_RNA)
where:
Base-Base interactions energy: -1475.254
where: short stacking energy: -609.202
Base-Backbone interact. energy: 0.157
local terms energy: -646.203705
where:
bonds (distance) C4'-P energy: -124.564
bonds (distance) P-C4' energy: -122.280
flat angles C4'-P-C4' energy: -151.806
flat angles P-C4'-P energy: -88.506
tors. eta vs tors. theta energy: -159.046
Dist. restrs. and SS energy: 4.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -1961.852757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.852757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.521704 (E_RNA)
where:
Base-Base interactions energy: -1324.112
where: short stacking energy: -550.932
Base-Backbone interact. energy: -0.913
local terms energy: -640.497032
where:
bonds (distance) C4'-P energy: -139.849
bonds (distance) P-C4' energy: -149.990
flat angles C4'-P-C4' energy: -125.982
flat angles P-C4'-P energy: -92.738
tors. eta vs tors. theta energy: -131.938
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: 10, replica: 8
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -1802.602475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.602475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.322360 (E_RNA)
where:
Base-Base interactions energy: -1206.865
where: short stacking energy: -473.420
Base-Backbone interact. energy: 3.005
local terms energy: -602.462113
where:
bonds (distance) C4'-P energy: -123.539
bonds (distance) P-C4' energy: -155.617
flat angles C4'-P-C4' energy: -129.250
flat angles P-C4'-P energy: -77.366
tors. eta vs tors. theta energy: -116.690
Dist. restrs. and SS energy: 3.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -2874.928749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2874.928749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2877.684247 (E_RNA)
where:
Base-Base interactions energy: -1996.992
where: short stacking energy: -812.926
Base-Backbone interact. energy: -5.289
local terms energy: -875.403581
where:
bonds (distance) C4'-P energy: -146.623
bonds (distance) P-C4' energy: -169.653
flat angles C4'-P-C4' energy: -182.662
flat angles P-C4'-P energy: -132.179
tors. eta vs tors. theta energy: -244.287
Dist. restrs. and SS energy: 2.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -2820.427681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.427681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.614902 (E_RNA)
where:
Base-Base interactions energy: -1953.988
where: short stacking energy: -835.722
Base-Backbone interact. energy: -5.684
local terms energy: -861.943111
where:
bonds (distance) C4'-P energy: -149.566
bonds (distance) P-C4' energy: -153.234
flat angles C4'-P-C4' energy: -187.693
flat angles P-C4'-P energy: -126.254
tors. eta vs tors. theta energy: -245.197
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: 3, replica: 9
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -2699.109114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.109114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.584499 (E_RNA)
where:
Base-Base interactions energy: -1869.398
where: short stacking energy: -762.761
Base-Backbone interact. energy: 1.050
local terms energy: -832.236297
where:
bonds (distance) C4'-P energy: -145.176
bonds (distance) P-C4' energy: -162.799
flat angles C4'-P-C4' energy: -173.279
flat angles P-C4'-P energy: -120.275
tors. eta vs tors. theta energy: -230.707
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: 4, replica: 2
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -2560.220736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.220736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.391030 (E_RNA)
where:
Base-Base interactions energy: -1755.830
where: short stacking energy: -745.010
Base-Backbone interact. energy: -2.061
local terms energy: -803.500438
where:
bonds (distance) C4'-P energy: -154.761
bonds (distance) P-C4' energy: -145.303
flat angles C4'-P-C4' energy: -183.005
flat angles P-C4'-P energy: -109.715
tors. eta vs tors. theta energy: -210.717
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: 5, replica: 1
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -2427.059089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.059089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.150984 (E_RNA)
where:
Base-Base interactions energy: -1698.939
where: short stacking energy: -723.296
Base-Backbone interact. energy: -2.902
local terms energy: -728.309471
where:
bonds (distance) C4'-P energy: -125.521
bonds (distance) P-C4' energy: -119.273
flat angles C4'-P-C4' energy: -169.508
flat angles P-C4'-P energy: -109.090
tors. eta vs tors. theta energy: -204.918
Dist. restrs. and SS energy: 3.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -2270.549813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.549813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.655906 (E_RNA)
where:
Base-Base interactions energy: -1551.523
where: short stacking energy: -682.052
Base-Backbone interact. energy: -4.789
local terms energy: -717.344790
where:
bonds (distance) C4'-P energy: -141.876
bonds (distance) P-C4' energy: -144.753
flat angles C4'-P-C4' energy: -127.773
flat angles P-C4'-P energy: -116.872
tors. eta vs tors. theta energy: -186.071
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: 7, replica: 3
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -2155.314813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.314813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.432718 (E_RNA)
where:
Base-Base interactions energy: -1459.037
where: short stacking energy: -615.088
Base-Backbone interact. energy: 2.563
local terms energy: -701.958382
where:
bonds (distance) C4'-P energy: -146.254
bonds (distance) P-C4' energy: -145.896
flat angles C4'-P-C4' energy: -165.116
flat angles P-C4'-P energy: -95.314
tors. eta vs tors. theta energy: -149.378
Dist. restrs. and SS energy: 3.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -2037.523887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.523887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.400120 (E_RNA)
where:
Base-Base interactions energy: -1403.533
where: short stacking energy: -602.823
Base-Backbone interact. energy: -1.301
local terms energy: -635.565382
where:
bonds (distance) C4'-P energy: -123.698
bonds (distance) P-C4' energy: -121.153
flat angles C4'-P-C4' energy: -153.562
flat angles P-C4'-P energy: -84.846
tors. eta vs tors. theta energy: -152.306
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: 9, replica: 5
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -1930.901319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.901319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.327146 (E_RNA)
where:
Base-Base interactions energy: -1319.634
where: short stacking energy: -554.588
Base-Backbone interact. energy: -2.597
local terms energy: -612.096005
where:
bonds (distance) C4'-P energy: -131.880
bonds (distance) P-C4' energy: -136.642
flat angles C4'-P-C4' energy: -144.517
flat angles P-C4'-P energy: -63.942
tors. eta vs tors. theta energy: -135.115
Dist. restrs. and SS energy: 3.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -1872.649852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.649852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.165717 (E_RNA)
where:
Base-Base interactions energy: -1294.124
where: short stacking energy: -515.653
Base-Backbone interact. energy: 7.028
local terms energy: -588.069025
where:
bonds (distance) C4'-P energy: -122.924
bonds (distance) P-C4' energy: -125.258
flat angles C4'-P-C4' energy: -147.607
flat angles P-C4'-P energy: -67.521
tors. eta vs tors. theta energy: -124.758
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: 1, replica: 10
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -2855.975182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2855.975182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2856.678446 (E_RNA)
where:
Base-Base interactions energy: -1992.068
where: short stacking energy: -862.534
Base-Backbone interact. energy: -1.223
local terms energy: -863.387876
where:
bonds (distance) C4'-P energy: -166.780
bonds (distance) P-C4' energy: -144.029
flat angles C4'-P-C4' energy: -175.213
flat angles P-C4'-P energy: -140.255
tors. eta vs tors. theta energy: -237.110
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: 2, replica: 7
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -2802.296859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.296859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.131118 (E_RNA)
where:
Base-Base interactions energy: -1927.961
where: short stacking energy: -818.210
Base-Backbone interact. energy: -0.200
local terms energy: -875.970365
where:
bonds (distance) C4'-P energy: -173.400
bonds (distance) P-C4' energy: -165.808
flat angles C4'-P-C4' energy: -177.043
flat angles P-C4'-P energy: -129.744
tors. eta vs tors. theta energy: -229.975
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: 3, replica: 9
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -2742.692500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.692500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.928719 (E_RNA)
where:
Base-Base interactions energy: -1912.684
where: short stacking energy: -788.650
Base-Backbone interact. energy: -1.262
local terms energy: -829.982704
where:
bonds (distance) C4'-P energy: -151.262
bonds (distance) P-C4' energy: -150.412
flat angles C4'-P-C4' energy: -180.664
flat angles P-C4'-P energy: -117.032
tors. eta vs tors. theta energy: -230.613
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: 4, replica: 2
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -2580.994484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.994484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.201603 (E_RNA)
where:
Base-Base interactions energy: -1808.390
where: short stacking energy: -756.612
Base-Backbone interact. energy: -4.599
local terms energy: -770.212427
where:
bonds (distance) C4'-P energy: -142.506
bonds (distance) P-C4' energy: -132.051
flat angles C4'-P-C4' energy: -169.443
flat angles P-C4'-P energy: -121.565
tors. eta vs tors. theta energy: -204.648
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: 1
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -2465.635539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.635539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.657824 (E_RNA)
where:
Base-Base interactions energy: -1703.843
where: short stacking energy: -695.475
Base-Backbone interact. energy: -4.225
local terms energy: -759.590411
where:
bonds (distance) C4'-P energy: -143.805
bonds (distance) P-C4' energy: -150.446
flat angles C4'-P-C4' energy: -182.853
flat angles P-C4'-P energy: -93.797
tors. eta vs tors. theta energy: -188.689
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: 6, replica: 4
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -2255.004140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.004140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.110244 (E_RNA)
where:
Base-Base interactions energy: -1534.268
where: short stacking energy: -633.956
Base-Backbone interact. energy: 5.203
local terms energy: -727.044949
where:
bonds (distance) C4'-P energy: -136.208
bonds (distance) P-C4' energy: -147.095
flat angles C4'-P-C4' energy: -150.652
flat angles P-C4'-P energy: -106.539
tors. eta vs tors. theta energy: -186.551
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: 7, replica: 3
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -2221.284448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.284448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.185501 (E_RNA)
where:
Base-Base interactions energy: -1564.655
where: short stacking energy: -657.797
Base-Backbone interact. energy: -0.308
local terms energy: -661.222559
where:
bonds (distance) C4'-P energy: -119.213
bonds (distance) P-C4' energy: -130.443
flat angles C4'-P-C4' energy: -152.384
flat angles P-C4'-P energy: -94.696
tors. eta vs tors. theta energy: -164.487
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: 8, replica: 6
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -2116.482337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.482337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.871510 (E_RNA)
where:
Base-Base interactions energy: -1480.472
where: short stacking energy: -614.421
Base-Backbone interact. energy: 4.723
local terms energy: -643.122715
where:
bonds (distance) C4'-P energy: -124.704
bonds (distance) P-C4' energy: -129.870
flat angles C4'-P-C4' energy: -134.537
flat angles P-C4'-P energy: -92.224
tors. eta vs tors. theta energy: -161.789
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: 9, replica: 5
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -1942.718488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.718488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.056619 (E_RNA)
where:
Base-Base interactions energy: -1308.166
where: short stacking energy: -567.081
Base-Backbone interact. energy: 2.583
local terms energy: -640.473960
where:
bonds (distance) C4'-P energy: -139.838
bonds (distance) P-C4' energy: -143.854
flat angles C4'-P-C4' energy: -128.965
flat angles P-C4'-P energy: -92.711
tors. eta vs tors. theta energy: -135.106
Dist. restrs. and SS energy: 3.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -1848.112773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.112773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.104771 (E_RNA)
where:
Base-Base interactions energy: -1215.175
where: short stacking energy: -500.215
Base-Backbone interact. energy: -4.641
local terms energy: -632.289276
where:
bonds (distance) C4'-P energy: -127.859
bonds (distance) P-C4' energy: -147.671
flat angles C4'-P-C4' energy: -131.086
flat angles P-C4'-P energy: -99.800
tors. eta vs tors. theta energy: -125.873
Dist. restrs. and SS energy: 3.992 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -2880.114125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2880.114125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2881.311330 (E_RNA)
where:
Base-Base interactions energy: -1999.155
where: short stacking energy: -844.632
Base-Backbone interact. energy: -5.188
local terms energy: -876.968370
where:
bonds (distance) C4'-P energy: -163.787
bonds (distance) P-C4' energy: -165.757
flat angles C4'-P-C4' energy: -188.563
flat angles P-C4'-P energy: -114.991
tors. eta vs tors. theta energy: -243.871
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: 2, replica: 7
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -2819.919580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.919580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.056859 (E_RNA)
where:
Base-Base interactions energy: -1957.271
where: short stacking energy: -817.181
Base-Backbone interact. energy: -2.490
local terms energy: -861.294992
where:
bonds (distance) C4'-P energy: -140.064
bonds (distance) P-C4' energy: -162.845
flat angles C4'-P-C4' energy: -183.736
flat angles P-C4'-P energy: -126.890
tors. eta vs tors. theta energy: -247.760
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: 9
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -2699.411404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.411404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.262931 (E_RNA)
where:
Base-Base interactions energy: -1874.695
where: short stacking energy: -793.739
Base-Backbone interact. energy: 0.653
local terms energy: -827.220753
where:
bonds (distance) C4'-P energy: -142.193
bonds (distance) P-C4' energy: -149.164
flat angles C4'-P-C4' energy: -181.543
flat angles P-C4'-P energy: -125.503
tors. eta vs tors. theta energy: -228.817
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: 4, replica: 2
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -2590.240660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.240660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.388803 (E_RNA)
where:
Base-Base interactions energy: -1781.051
where: short stacking energy: -734.614
Base-Backbone interact. energy: -4.920
local terms energy: -805.417341
where:
bonds (distance) C4'-P energy: -135.955
bonds (distance) P-C4' energy: -164.308
flat angles C4'-P-C4' energy: -180.688
flat angles P-C4'-P energy: -117.653
tors. eta vs tors. theta energy: -206.814
Dist. restrs. and SS energy: 1.148 (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: 319
Temperature: 1.100000
Total energy: -2450.119193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.119193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.843171 (E_RNA)
where:
Base-Base interactions energy: -1678.523
where: short stacking energy: -680.949
Base-Backbone interact. energy: -6.193
local terms energy: -768.127740
where:
bonds (distance) C4'-P energy: -148.450
bonds (distance) P-C4' energy: -144.346
flat angles C4'-P-C4' energy: -175.076
flat angles P-C4'-P energy: -115.699
tors. eta vs tors. theta energy: -184.556
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: 6, replica: 3
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -2270.973484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.973484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.132355 (E_RNA)
where:
Base-Base interactions energy: -1512.599
where: short stacking energy: -630.457
Base-Backbone interact. energy: 0.709
local terms energy: -762.243027
where:
bonds (distance) C4'-P energy: -160.620
bonds (distance) P-C4' energy: -140.804
flat angles C4'-P-C4' energy: -154.950
flat angles P-C4'-P energy: -116.367
tors. eta vs tors. theta energy: -189.502
Dist. restrs. and SS energy: 3.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -2214.323849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.323849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.813120 (E_RNA)
where:
Base-Base interactions energy: -1510.984
where: short stacking energy: -644.934
Base-Backbone interact. energy: 1.939
local terms energy: -707.768414
where:
bonds (distance) C4'-P energy: -134.231
bonds (distance) P-C4' energy: -122.760
flat angles C4'-P-C4' energy: -154.443
flat angles P-C4'-P energy: -102.781
tors. eta vs tors. theta energy: -193.553
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: 8, replica: 5
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -2068.012388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.012388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.019881 (E_RNA)
where:
Base-Base interactions energy: -1425.857
where: short stacking energy: -603.268
Base-Backbone interact. energy: -6.881
local terms energy: -638.282487
where:
bonds (distance) C4'-P energy: -119.686
bonds (distance) P-C4' energy: -124.406
flat angles C4'-P-C4' energy: -163.712
flat angles P-C4'-P energy: -76.248
tors. eta vs tors. theta energy: -154.230
Dist. restrs. and SS energy: 3.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -2006.311004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.311004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.832080 (E_RNA)
where:
Base-Base interactions energy: -1384.428
where: short stacking energy: -575.731
Base-Backbone interact. energy: 2.204
local terms energy: -626.607655
where:
bonds (distance) C4'-P energy: -115.157
bonds (distance) P-C4' energy: -136.875
flat angles C4'-P-C4' energy: -140.866
flat angles P-C4'-P energy: -95.616
tors. eta vs tors. theta energy: -138.093
Dist. restrs. and SS energy: 2.521 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -1847.382097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.382097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.868619 (E_RNA)
where:
Base-Base interactions energy: -1285.363
where: short stacking energy: -529.600
Base-Backbone interact. energy: -1.508
local terms energy: -563.997503
where:
bonds (distance) C4'-P energy: -105.905
bonds (distance) P-C4' energy: -118.712
flat angles C4'-P-C4' energy: -128.281
flat angles P-C4'-P energy: -87.818
tors. eta vs tors. theta energy: -123.281
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: 1, replica: 10
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -2898.988378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2898.988378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2900.838316 (E_RNA)
where:
Base-Base interactions energy: -2017.986
where: short stacking energy: -836.814
Base-Backbone interact. energy: -1.441
local terms energy: -881.410541
where:
bonds (distance) C4'-P energy: -164.575
bonds (distance) P-C4' energy: -151.534
flat angles C4'-P-C4' energy: -194.292
flat angles P-C4'-P energy: -129.196
tors. eta vs tors. theta energy: -241.813
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: 2, replica: 7
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -2860.348554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2860.348554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2861.820600 (E_RNA)
where:
Base-Base interactions energy: -1978.602
where: short stacking energy: -825.015
Base-Backbone interact. energy: 5.164
local terms energy: -888.382171
where:
bonds (distance) C4'-P energy: -147.002
bonds (distance) P-C4' energy: -171.891
flat angles C4'-P-C4' energy: -195.146
flat angles P-C4'-P energy: -132.404
tors. eta vs tors. theta energy: -241.940
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: 3, replica: 9
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -2707.640931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.640931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.521937 (E_RNA)
where:
Base-Base interactions energy: -1851.447
where: short stacking energy: -784.193
Base-Backbone interact. energy: -0.806
local terms energy: -857.268304
where:
bonds (distance) C4'-P energy: -153.455
bonds (distance) P-C4' energy: -172.513
flat angles C4'-P-C4' energy: -176.196
flat angles P-C4'-P energy: -119.230
tors. eta vs tors. theta energy: -235.874
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: 2
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -2603.265972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.265972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.200151 (E_RNA)
where:
Base-Base interactions energy: -1784.153
where: short stacking energy: -738.972
Base-Backbone interact. energy: -3.220
local terms energy: -817.827415
where:
bonds (distance) C4'-P energy: -149.545
bonds (distance) P-C4' energy: -162.991
flat angles C4'-P-C4' energy: -177.016
flat angles P-C4'-P energy: -114.595
tors. eta vs tors. theta energy: -213.680
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: 5, replica: 1
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -2475.734181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.734181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.505762 (E_RNA)
where:
Base-Base interactions energy: -1711.042
where: short stacking energy: -722.773
Base-Backbone interact. energy: -1.774
local terms energy: -765.689218
where:
bonds (distance) C4'-P energy: -144.580
bonds (distance) P-C4' energy: -140.676
flat angles C4'-P-C4' energy: -172.470
flat angles P-C4'-P energy: -107.248
tors. eta vs tors. theta energy: -200.716
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: 6, replica: 3
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -2260.944159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.944159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.803839 (E_RNA)
where:
Base-Base interactions energy: -1541.324
where: short stacking energy: -659.484
Base-Backbone interact. energy: -1.573
local terms energy: -719.907431
where:
bonds (distance) C4'-P energy: -128.326
bonds (distance) P-C4' energy: -138.831
flat angles C4'-P-C4' energy: -161.983
flat angles P-C4'-P energy: -112.300
tors. eta vs tors. theta energy: -178.467
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: 4
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -2192.435822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.435822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.179047 (E_RNA)
where:
Base-Base interactions energy: -1494.178
where: short stacking energy: -639.009
Base-Backbone interact. energy: 0.229
local terms energy: -700.230761
where:
bonds (distance) C4'-P energy: -116.015
bonds (distance) P-C4' energy: -153.163
flat angles C4'-P-C4' energy: -157.654
flat angles P-C4'-P energy: -89.402
tors. eta vs tors. theta energy: -183.997
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: 8, replica: 5
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -2049.078327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.078327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.231058 (E_RNA)
where:
Base-Base interactions energy: -1406.646
where: short stacking energy: -599.504
Base-Backbone interact. energy: 3.462
local terms energy: -648.046393
where:
bonds (distance) C4'-P energy: -126.139
bonds (distance) P-C4' energy: -126.009
flat angles C4'-P-C4' energy: -145.121
flat angles P-C4'-P energy: -100.807
tors. eta vs tors. theta energy: -149.971
Dist. restrs. and SS energy: 2.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -1978.669484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.669484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.204443 (E_RNA)
where:
Base-Base interactions energy: -1347.947
where: short stacking energy: -563.258
Base-Backbone interact. energy: -1.556
local terms energy: -637.701698
where:
bonds (distance) C4'-P energy: -140.786
bonds (distance) P-C4' energy: -148.746
flat angles C4'-P-C4' energy: -131.694
flat angles P-C4'-P energy: -65.685
tors. eta vs tors. theta energy: -150.790
Dist. restrs. and SS energy: 8.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -1822.531805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.531805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.892628 (E_RNA)
where:
Base-Base interactions energy: -1244.375
where: short stacking energy: -511.296
Base-Backbone interact. energy: -1.166
local terms energy: -584.351049
where:
bonds (distance) C4'-P energy: -129.714
bonds (distance) P-C4' energy: -129.394
flat angles C4'-P-C4' energy: -137.971
flat angles P-C4'-P energy: -71.458
tors. eta vs tors. theta energy: -115.815
Dist. restrs. and SS energy: 7.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -2882.823807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2882.823807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2884.541080 (E_RNA)
where:
Base-Base interactions energy: -2009.975
where: short stacking energy: -842.297
Base-Backbone interact. energy: -1.486
local terms energy: -873.079404
where:
bonds (distance) C4'-P energy: -173.978
bonds (distance) P-C4' energy: -158.762
flat angles C4'-P-C4' energy: -182.962
flat angles P-C4'-P energy: -123.008
tors. eta vs tors. theta energy: -234.369
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: 2, replica: 7
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -2827.901334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.901334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.170687 (E_RNA)
where:
Base-Base interactions energy: -1978.490
where: short stacking energy: -812.419
Base-Backbone interact. energy: 1.770
local terms energy: -852.451346
where:
bonds (distance) C4'-P energy: -156.470
bonds (distance) P-C4' energy: -163.031
flat angles C4'-P-C4' energy: -179.300
flat angles P-C4'-P energy: -109.957
tors. eta vs tors. theta energy: -243.694
Dist. restrs. and SS energy: 1.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -2700.800143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.800143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.545654 (E_RNA)
where:
Base-Base interactions energy: -1835.540
where: short stacking energy: -783.834
Base-Backbone interact. energy: -2.914
local terms energy: -864.091379
where:
bonds (distance) C4'-P energy: -161.862
bonds (distance) P-C4' energy: -168.259
flat angles C4'-P-C4' energy: -190.607
flat angles P-C4'-P energy: -114.259
tors. eta vs tors. theta energy: -229.104
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: 2
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -2594.137654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.137654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.889502 (E_RNA)
where:
Base-Base interactions energy: -1792.817
where: short stacking energy: -734.641
Base-Backbone interact. energy: 5.296
local terms energy: -808.367750
where:
bonds (distance) C4'-P energy: -143.845
bonds (distance) P-C4' energy: -162.853
flat angles C4'-P-C4' energy: -178.682
flat angles P-C4'-P energy: -117.376
tors. eta vs tors. theta energy: -205.611
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: 1
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -2426.839018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.839018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.139711 (E_RNA)
where:
Base-Base interactions energy: -1668.009
where: short stacking energy: -725.172
Base-Backbone interact. energy: -2.813
local terms energy: -758.318440
where:
bonds (distance) C4'-P energy: -131.254
bonds (distance) P-C4' energy: -147.137
flat angles C4'-P-C4' energy: -157.504
flat angles P-C4'-P energy: -107.506
tors. eta vs tors. theta energy: -214.918
Dist. restrs. and SS energy: 2.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -2282.443657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.443657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.019459 (E_RNA)
where:
Base-Base interactions energy: -1570.510
where: short stacking energy: -672.984
Base-Backbone interact. energy: 0.303
local terms energy: -714.812542
where:
bonds (distance) C4'-P energy: -119.902
bonds (distance) P-C4' energy: -130.073
flat angles C4'-P-C4' energy: -175.272
flat angles P-C4'-P energy: -103.190
tors. eta vs tors. theta energy: -186.375
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: 7, replica: 4
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -2241.192237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.192237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.843563 (E_RNA)
where:
Base-Base interactions energy: -1521.078
where: short stacking energy: -642.992
Base-Backbone interact. energy: 1.060
local terms energy: -722.825241
where:
bonds (distance) C4'-P energy: -144.144
bonds (distance) P-C4' energy: -144.524
flat angles C4'-P-C4' energy: -153.399
flat angles P-C4'-P energy: -102.179
tors. eta vs tors. theta energy: -178.579
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: 8, replica: 5
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -2024.874991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.874991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.420732 (E_RNA)
where:
Base-Base interactions energy: -1369.610
where: short stacking energy: -585.775
Base-Backbone interact. energy: -1.484
local terms energy: -655.326203
where:
bonds (distance) C4'-P energy: -128.672
bonds (distance) P-C4' energy: -139.694
flat angles C4'-P-C4' energy: -148.738
flat angles P-C4'-P energy: -88.803
tors. eta vs tors. theta energy: -149.419
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: 9, replica: 6
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -2041.364912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.364912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.531337 (E_RNA)
where:
Base-Base interactions energy: -1405.731
where: short stacking energy: -580.230
Base-Backbone interact. energy: -2.255
local terms energy: -636.544930
where:
bonds (distance) C4'-P energy: -133.448
bonds (distance) P-C4' energy: -110.725
flat angles C4'-P-C4' energy: -122.793
flat angles P-C4'-P energy: -98.610
tors. eta vs tors. theta energy: -170.969
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: 8
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -1838.273777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.273777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.032789 (E_RNA)
where:
Base-Base interactions energy: -1255.961
where: short stacking energy: -506.153
Base-Backbone interact. energy: 4.634
local terms energy: -590.705716
where:
bonds (distance) C4'-P energy: -115.899
bonds (distance) P-C4' energy: -141.834
flat angles C4'-P-C4' energy: -123.377
flat angles P-C4'-P energy: -80.644
tors. eta vs tors. theta energy: -128.951
Dist. restrs. and SS energy: 3.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -2875.495856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2875.495856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2876.882721 (E_RNA)
where:
Base-Base interactions energy: -2001.916
where: short stacking energy: -834.467
Base-Backbone interact. energy: -0.123
local terms energy: -874.843407
where:
bonds (distance) C4'-P energy: -135.377
bonds (distance) P-C4' energy: -165.128
flat angles C4'-P-C4' energy: -194.898
flat angles P-C4'-P energy: -131.135
tors. eta vs tors. theta energy: -248.306
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: 2, replica: 7
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -2830.830259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.830259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.399702 (E_RNA)
where:
Base-Base interactions energy: -1965.387
where: short stacking energy: -805.146
Base-Backbone interact. energy: -6.210
local terms energy: -860.803098
where:
bonds (distance) C4'-P energy: -152.959
bonds (distance) P-C4' energy: -160.905
flat angles C4'-P-C4' energy: -184.259
flat angles P-C4'-P energy: -119.224
tors. eta vs tors. theta energy: -243.456
Dist. restrs. and SS energy: 1.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -2704.269656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.269656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.890093 (E_RNA)
where:
Base-Base interactions energy: -1874.088
where: short stacking energy: -796.545
Base-Backbone interact. energy: 0.469
local terms energy: -832.270681
where:
bonds (distance) C4'-P energy: -156.417
bonds (distance) P-C4' energy: -151.647
flat angles C4'-P-C4' energy: -168.628
flat angles P-C4'-P energy: -115.850
tors. eta vs tors. theta energy: -239.729
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: 2
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -2560.815839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.815839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.756621 (E_RNA)
where:
Base-Base interactions energy: -1790.442
where: short stacking energy: -702.274
Base-Backbone interact. energy: 0.182
local terms energy: -771.496143
where:
bonds (distance) C4'-P energy: -149.493
bonds (distance) P-C4' energy: -138.037
flat angles C4'-P-C4' energy: -174.802
flat angles P-C4'-P energy: -115.641
tors. eta vs tors. theta energy: -193.524
Dist. restrs. and SS energy: 0.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -2453.486342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.486342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.128731 (E_RNA)
where:
Base-Base interactions energy: -1684.115
where: short stacking energy: -728.409
Base-Backbone interact. energy: -2.299
local terms energy: -768.715150
where:
bonds (distance) C4'-P energy: -122.535
bonds (distance) P-C4' energy: -144.579
flat angles C4'-P-C4' energy: -174.844
flat angles P-C4'-P energy: -113.622
tors. eta vs tors. theta energy: -213.136
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: 3
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -2274.369254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.369254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.512296 (E_RNA)
where:
Base-Base interactions energy: -1548.302
where: short stacking energy: -642.750
Base-Backbone interact. energy: -2.711
local terms energy: -724.499850
where:
bonds (distance) C4'-P energy: -122.907
bonds (distance) P-C4' energy: -162.773
flat angles C4'-P-C4' energy: -170.804
flat angles P-C4'-P energy: -86.236
tors. eta vs tors. theta energy: -181.780
Dist. restrs. and SS energy: 1.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -2236.916526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.916526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.426428 (E_RNA)
where:
Base-Base interactions energy: -1509.804
where: short stacking energy: -676.147
Base-Backbone interact. energy: 1.280
local terms energy: -729.902756
where:
bonds (distance) C4'-P energy: -160.925
bonds (distance) P-C4' energy: -126.676
flat angles C4'-P-C4' energy: -151.761
flat angles P-C4'-P energy: -106.524
tors. eta vs tors. theta energy: -184.017
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: 8, replica: 5
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -2057.227181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.227181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.061636 (E_RNA)
where:
Base-Base interactions energy: -1404.822
where: short stacking energy: -613.300
Base-Backbone interact. energy: 1.004
local terms energy: -656.243030
where:
bonds (distance) C4'-P energy: -125.407
bonds (distance) P-C4' energy: -136.275
flat angles C4'-P-C4' energy: -145.162
flat angles P-C4'-P energy: -87.919
tors. eta vs tors. theta energy: -161.481
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: 6
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -2034.793173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.793173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.296965 (E_RNA)
where:
Base-Base interactions energy: -1390.278
where: short stacking energy: -558.909
Base-Backbone interact. energy: -0.877
local terms energy: -647.142648
where:
bonds (distance) C4'-P energy: -142.365
bonds (distance) P-C4' energy: -142.524
flat angles C4'-P-C4' energy: -135.360
flat angles P-C4'-P energy: -85.327
tors. eta vs tors. theta energy: -141.567
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: 8
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -1821.164728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.164728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.489275 (E_RNA)
where:
Base-Base interactions energy: -1230.483
where: short stacking energy: -529.903
Base-Backbone interact. energy: 1.580
local terms energy: -599.585801
where:
bonds (distance) C4'-P energy: -130.650
bonds (distance) P-C4' energy: -127.631
flat angles C4'-P-C4' energy: -117.295
flat angles P-C4'-P energy: -92.997
tors. eta vs tors. theta energy: -131.013
Dist. restrs. and SS energy: 7.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -2876.360921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2876.360921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2877.686744 (E_RNA)
where:
Base-Base interactions energy: -1982.363
where: short stacking energy: -831.013
Base-Backbone interact. energy: -1.970
local terms energy: -893.353725
where:
bonds (distance) C4'-P energy: -172.111
bonds (distance) P-C4' energy: -170.171
flat angles C4'-P-C4' energy: -175.830
flat angles P-C4'-P energy: -132.799
tors. eta vs tors. theta energy: -242.443
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: 2, replica: 7
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -2820.777110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.777110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.805583 (E_RNA)
where:
Base-Base interactions energy: -1981.276
where: short stacking energy: -806.454
Base-Backbone interact. energy: -4.056
local terms energy: -837.474084
where:
bonds (distance) C4'-P energy: -153.580
bonds (distance) P-C4' energy: -163.353
flat angles C4'-P-C4' energy: -177.199
flat angles P-C4'-P energy: -103.278
tors. eta vs tors. theta energy: -240.064
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: 3, replica: 9
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -2706.576492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.576492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.996911 (E_RNA)
where:
Base-Base interactions energy: -1854.468
where: short stacking energy: -771.321
Base-Backbone interact. energy: -4.979
local terms energy: -849.549638
where:
bonds (distance) C4'-P energy: -155.125
bonds (distance) P-C4' energy: -163.223
flat angles C4'-P-C4' energy: -191.752
flat angles P-C4'-P energy: -124.487
tors. eta vs tors. theta energy: -214.962
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: 4, replica: 2
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -2589.744657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.744657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.895500 (E_RNA)
where:
Base-Base interactions energy: -1796.535
where: short stacking energy: -735.107
Base-Backbone interact. energy: 0.774
local terms energy: -796.134151
where:
bonds (distance) C4'-P energy: -145.694
bonds (distance) P-C4' energy: -148.398
flat angles C4'-P-C4' energy: -173.264
flat angles P-C4'-P energy: -118.487
tors. eta vs tors. theta energy: -210.291
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: 5, replica: 1
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -2398.923830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.923830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.763049 (E_RNA)
where:
Base-Base interactions energy: -1661.555
where: short stacking energy: -695.811
Base-Backbone interact. energy: -0.502
local terms energy: -738.706338
where:
bonds (distance) C4'-P energy: -142.466
bonds (distance) P-C4' energy: -128.958
flat angles C4'-P-C4' energy: -161.904
flat angles P-C4'-P energy: -108.554
tors. eta vs tors. theta energy: -196.824
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: 6, replica: 3
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -2295.441389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.441389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.596514 (E_RNA)
where:
Base-Base interactions energy: -1574.113
where: short stacking energy: -657.063
Base-Backbone interact. energy: -3.004
local terms energy: -721.479600
where:
bonds (distance) C4'-P energy: -133.497
bonds (distance) P-C4' energy: -126.219
flat angles C4'-P-C4' energy: -164.958
flat angles P-C4'-P energy: -111.300
tors. eta vs tors. theta energy: -185.506
Dist. restrs. and SS energy: 3.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -2201.483236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.483236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.113029 (E_RNA)
where:
Base-Base interactions energy: -1492.339
where: short stacking energy: -623.537
Base-Backbone interact. energy: -4.040
local terms energy: -706.733610
where:
bonds (distance) C4'-P energy: -136.241
bonds (distance) P-C4' energy: -142.331
flat angles C4'-P-C4' energy: -153.515
flat angles P-C4'-P energy: -94.369
tors. eta vs tors. theta energy: -180.277
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: 8, replica: 5
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -2068.627299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.627299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.062352 (E_RNA)
where:
Base-Base interactions energy: -1401.301
where: short stacking energy: -596.406
Base-Backbone interact. energy: 1.076
local terms energy: -669.837256
where:
bonds (distance) C4'-P energy: -142.951
bonds (distance) P-C4' energy: -128.511
flat angles C4'-P-C4' energy: -146.551
flat angles P-C4'-P energy: -99.468
tors. eta vs tors. theta energy: -152.356
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: 9, replica: 6
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -1925.621355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.621355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.326712 (E_RNA)
where:
Base-Base interactions energy: -1261.806
where: short stacking energy: -500.103
Base-Backbone interact. energy: -3.251
local terms energy: -665.270025
where:
bonds (distance) C4'-P energy: -143.385
bonds (distance) P-C4' energy: -169.157
flat angles C4'-P-C4' energy: -128.136
flat angles P-C4'-P energy: -84.128
tors. eta vs tors. theta energy: -140.464
Dist. restrs. and SS energy: 4.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -1846.201029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.201029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.987866 (E_RNA)
where:
Base-Base interactions energy: -1250.513
where: short stacking energy: -531.326
Base-Backbone interact. energy: 1.449
local terms energy: -600.924278
where:
bonds (distance) C4'-P energy: -121.018
bonds (distance) P-C4' energy: -138.752
flat angles C4'-P-C4' energy: -144.457
flat angles P-C4'-P energy: -69.804
tors. eta vs tors. theta energy: -126.893
Dist. restrs. and SS energy: 3.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -2888.064138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2888.064138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2889.901003 (E_RNA)
where:
Base-Base interactions energy: -2017.560
where: short stacking energy: -841.008
Base-Backbone interact. energy: -3.274
local terms energy: -869.066738
where:
bonds (distance) C4'-P energy: -165.001
bonds (distance) P-C4' energy: -155.516
flat angles C4'-P-C4' energy: -184.482
flat angles P-C4'-P energy: -114.407
tors. eta vs tors. theta energy: -249.660
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: 324
Temperature: 0.950000
Total energy: -2840.509807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.509807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2842.285050 (E_RNA)
where:
Base-Base interactions energy: -1978.721
where: short stacking energy: -828.808
Base-Backbone interact. energy: -1.724
local terms energy: -861.839495
where:
bonds (distance) C4'-P energy: -144.819
bonds (distance) P-C4' energy: -162.133
flat angles C4'-P-C4' energy: -191.824
flat angles P-C4'-P energy: -120.481
tors. eta vs tors. theta energy: -242.582
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: 3, replica: 9
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -2720.394072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.394072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.594158 (E_RNA)
where:
Base-Base interactions energy: -1888.603
where: short stacking energy: -801.962
Base-Backbone interact. energy: -1.265
local terms energy: -831.726327
where:
bonds (distance) C4'-P energy: -144.849
bonds (distance) P-C4' energy: -162.941
flat angles C4'-P-C4' energy: -165.927
flat angles P-C4'-P energy: -124.732
tors. eta vs tors. theta energy: -233.277
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: 4, replica: 2
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -2601.604207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.604207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.124865 (E_RNA)
where:
Base-Base interactions energy: -1822.076
where: short stacking energy: -743.354
Base-Backbone interact. energy: 1.447
local terms energy: -782.496494
where:
bonds (distance) C4'-P energy: -147.209
bonds (distance) P-C4' energy: -147.359
flat angles C4'-P-C4' energy: -160.493
flat angles P-C4'-P energy: -120.961
tors. eta vs tors. theta energy: -206.474
Dist. restrs. and SS energy: 1.521 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -2420.118948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.118948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.643357 (E_RNA)
where:
Base-Base interactions energy: -1678.421
where: short stacking energy: -719.167
Base-Backbone interact. energy: -2.673
local terms energy: -741.548888
where:
bonds (distance) C4'-P energy: -140.584
bonds (distance) P-C4' energy: -135.211
flat angles C4'-P-C4' energy: -151.343
flat angles P-C4'-P energy: -103.224
tors. eta vs tors. theta energy: -211.188
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: 6, replica: 3
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -2253.434134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.434134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.812327 (E_RNA)
where:
Base-Base interactions energy: -1543.123
where: short stacking energy: -631.949
Base-Backbone interact. energy: 5.692
local terms energy: -718.381325
where:
bonds (distance) C4'-P energy: -134.676
bonds (distance) P-C4' energy: -159.952
flat angles C4'-P-C4' energy: -170.497
flat angles P-C4'-P energy: -90.534
tors. eta vs tors. theta energy: -162.723
Dist. restrs. and SS energy: 2.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -2170.978393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.978393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.670196 (E_RNA)
where:
Base-Base interactions energy: -1457.881
where: short stacking energy: -634.624
Base-Backbone interact. energy: 1.541
local terms energy: -716.329967
where:
bonds (distance) C4'-P energy: -137.122
bonds (distance) P-C4' energy: -142.270
flat angles C4'-P-C4' energy: -164.079
flat angles P-C4'-P energy: -103.023
tors. eta vs tors. theta energy: -169.836
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: 8, replica: 5
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -2037.142058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.142058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.709311 (E_RNA)
where:
Base-Base interactions energy: -1386.004
where: short stacking energy: -586.307
Base-Backbone interact. energy: -1.482
local terms energy: -653.223764
where:
bonds (distance) C4'-P energy: -127.359
bonds (distance) P-C4' energy: -128.262
flat angles C4'-P-C4' energy: -150.558
flat angles P-C4'-P energy: -82.824
tors. eta vs tors. theta energy: -164.221
Dist. restrs. and SS energy: 3.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -1945.634810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.634810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.854231 (E_RNA)
where:
Base-Base interactions energy: -1338.678
where: short stacking energy: -560.497
Base-Backbone interact. energy: 6.581
local terms energy: -617.757316
where:
bonds (distance) C4'-P energy: -119.122
bonds (distance) P-C4' energy: -122.367
flat angles C4'-P-C4' energy: -147.473
flat angles P-C4'-P energy: -80.706
tors. eta vs tors. theta energy: -148.090
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: 10, replica: 8
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -1842.859619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.859619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.634656 (E_RNA)
where:
Base-Base interactions energy: -1275.447
where: short stacking energy: -506.187
Base-Backbone interact. energy: 1.987
local terms energy: -573.174246
where:
bonds (distance) C4'-P energy: -119.633
bonds (distance) P-C4' energy: -110.243
flat angles C4'-P-C4' energy: -128.578
flat angles P-C4'-P energy: -87.460
tors. eta vs tors. theta energy: -127.261
Dist. restrs. and SS energy: 3.775 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -2919.457504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2919.457504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2920.390535 (E_RNA)
where:
Base-Base interactions energy: -2041.320
where: short stacking energy: -861.611
Base-Backbone interact. energy: -1.883
local terms energy: -877.187792
where:
bonds (distance) C4'-P energy: -148.461
bonds (distance) P-C4' energy: -168.389
flat angles C4'-P-C4' energy: -181.720
flat angles P-C4'-P energy: -124.855
tors. eta vs tors. theta energy: -253.763
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: 2, replica: 7
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -2856.711732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2856.711732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2858.440033 (E_RNA)
where:
Base-Base interactions energy: -2016.211
where: short stacking energy: -826.719
Base-Backbone interact. energy: -2.264
local terms energy: -839.965502
where:
bonds (distance) C4'-P energy: -165.662
bonds (distance) P-C4' energy: -154.968
flat angles C4'-P-C4' energy: -170.761
flat angles P-C4'-P energy: -112.368
tors. eta vs tors. theta energy: -236.206
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: 3, replica: 9
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -2699.436179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.436179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.137359 (E_RNA)
where:
Base-Base interactions energy: -1853.854
where: short stacking energy: -787.127
Base-Backbone interact. energy: -2.714
local terms energy: -844.568842
where:
bonds (distance) C4'-P energy: -149.941
bonds (distance) P-C4' energy: -168.095
flat angles C4'-P-C4' energy: -169.706
flat angles P-C4'-P energy: -119.869
tors. eta vs tors. theta energy: -236.959
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: 2
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -2603.390642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.390642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.248124 (E_RNA)
where:
Base-Base interactions energy: -1813.609
where: short stacking energy: -767.440
Base-Backbone interact. energy: -2.116
local terms energy: -790.523228
where:
bonds (distance) C4'-P energy: -133.716
bonds (distance) P-C4' energy: -153.654
flat angles C4'-P-C4' energy: -172.985
flat angles P-C4'-P energy: -108.383
tors. eta vs tors. theta energy: -221.786
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: 5, replica: 1
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -2409.350390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.350390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.262678 (E_RNA)
where:
Base-Base interactions energy: -1661.469
where: short stacking energy: -697.454
Base-Backbone interact. energy: -3.768
local terms energy: -746.025683
where:
bonds (distance) C4'-P energy: -142.520
bonds (distance) P-C4' energy: -141.352
flat angles C4'-P-C4' energy: -165.936
flat angles P-C4'-P energy: -96.621
tors. eta vs tors. theta energy: -199.597
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: 6, replica: 3
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -2256.866190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.866190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.752185 (E_RNA)
where:
Base-Base interactions energy: -1552.966
where: short stacking energy: -635.615
Base-Backbone interact. energy: -1.002
local terms energy: -703.784419
where:
bonds (distance) C4'-P energy: -144.906
bonds (distance) P-C4' energy: -135.411
flat angles C4'-P-C4' energy: -149.783
flat angles P-C4'-P energy: -103.211
tors. eta vs tors. theta energy: -170.474
Dist. restrs. and SS energy: 0.886 (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: 4
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -2120.916276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.916276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.572323 (E_RNA)
where:
Base-Base interactions energy: -1455.240
where: short stacking energy: -629.239
Base-Backbone interact. energy: -2.456
local terms energy: -665.876353
where:
bonds (distance) C4'-P energy: -122.277
bonds (distance) P-C4' energy: -143.510
flat angles C4'-P-C4' energy: -153.080
flat angles P-C4'-P energy: -87.469
tors. eta vs tors. theta energy: -159.540
Dist. restrs. and SS energy: 2.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -2047.013363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.013363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.957707 (E_RNA)
where:
Base-Base interactions energy: -1369.854
where: short stacking energy: -595.082
Base-Backbone interact. energy: -0.029
local terms energy: -679.074802
where:
bonds (distance) C4'-P energy: -141.785
bonds (distance) P-C4' energy: -132.424
flat angles C4'-P-C4' energy: -149.914
flat angles P-C4'-P energy: -100.792
tors. eta vs tors. theta energy: -154.160
Dist. restrs. and SS energy: 1.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -1986.183082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.183082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.024330 (E_RNA)
where:
Base-Base interactions energy: -1319.000
where: short stacking energy: -571.965
Base-Backbone interact. energy: 2.522
local terms energy: -672.546965
where:
bonds (distance) C4'-P energy: -140.313
bonds (distance) P-C4' energy: -138.712
flat angles C4'-P-C4' energy: -149.926
flat angles P-C4'-P energy: -92.977
tors. eta vs tors. theta energy: -150.619
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: 8
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -1843.330559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.330559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.975874 (E_RNA)
where:
Base-Base interactions energy: -1268.157
where: short stacking energy: -519.810
Base-Backbone interact. energy: 2.158
local terms energy: -583.977177
where:
bonds (distance) C4'-P energy: -105.635
bonds (distance) P-C4' energy: -135.643
flat angles C4'-P-C4' energy: -130.145
flat angles P-C4'-P energy: -86.500
tors. eta vs tors. theta energy: -126.054
Dist. restrs. and SS energy: 6.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -2862.377801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2862.377801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2864.108780 (E_RNA)
where:
Base-Base interactions energy: -1980.312
where: short stacking energy: -814.041
Base-Backbone interact. energy: -4.339
local terms energy: -879.458284
where:
bonds (distance) C4'-P energy: -159.710
bonds (distance) P-C4' energy: -177.249
flat angles C4'-P-C4' energy: -190.742
flat angles P-C4'-P energy: -118.247
tors. eta vs tors. theta energy: -233.510
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: 2, replica: 10
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -2836.882307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2836.882307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.505881 (E_RNA)
where:
Base-Base interactions energy: -1975.685
where: short stacking energy: -827.979
Base-Backbone interact. energy: -4.196
local terms energy: -858.625217
where:
bonds (distance) C4'-P energy: -145.107
bonds (distance) P-C4' energy: -159.797
flat angles C4'-P-C4' energy: -170.815
flat angles P-C4'-P energy: -133.609
tors. eta vs tors. theta energy: -249.298
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: 3, replica: 9
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -2701.440383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.440383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.816347 (E_RNA)
where:
Base-Base interactions energy: -1859.313
where: short stacking energy: -794.507
Base-Backbone interact. energy: -1.634
local terms energy: -841.869287
where:
bonds (distance) C4'-P energy: -146.549
bonds (distance) P-C4' energy: -158.335
flat angles C4'-P-C4' energy: -180.425
flat angles P-C4'-P energy: -119.518
tors. eta vs tors. theta energy: -237.042
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: 4, replica: 2
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -2633.429981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.429981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.102353 (E_RNA)
where:
Base-Base interactions energy: -1827.066
where: short stacking energy: -766.413
Base-Backbone interact. energy: -0.889
local terms energy: -808.147355
where:
bonds (distance) C4'-P energy: -139.308
bonds (distance) P-C4' energy: -161.407
flat angles C4'-P-C4' energy: -172.124
flat angles P-C4'-P energy: -112.840
tors. eta vs tors. theta energy: -222.468
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: 5, replica: 1
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -2489.147015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.147015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.580545 (E_RNA)
where:
Base-Base interactions energy: -1712.994
where: short stacking energy: -706.657
Base-Backbone interact. energy: 0.835
local terms energy: -782.422321
where:
bonds (distance) C4'-P energy: -135.317
bonds (distance) P-C4' energy: -155.554
flat angles C4'-P-C4' energy: -183.422
flat angles P-C4'-P energy: -101.493
tors. eta vs tors. theta energy: -206.636
Dist. restrs. and SS energy: 5.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -2261.532290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.532290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.527957 (E_RNA)
where:
Base-Base interactions energy: -1525.687
where: short stacking energy: -608.686
Base-Backbone interact. energy: -2.135
local terms energy: -735.705118
where:
bonds (distance) C4'-P energy: -163.002
bonds (distance) P-C4' energy: -152.409
flat angles C4'-P-C4' energy: -146.186
flat angles P-C4'-P energy: -108.686
tors. eta vs tors. theta energy: -165.422
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: 7, replica: 4
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -2162.218050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.218050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.789655 (E_RNA)
where:
Base-Base interactions energy: -1460.356
where: short stacking energy: -617.812
Base-Backbone interact. energy: 3.047
local terms energy: -707.480217
where:
bonds (distance) C4'-P energy: -144.034
bonds (distance) P-C4' energy: -139.677
flat angles C4'-P-C4' energy: -152.568
flat angles P-C4'-P energy: -97.661
tors. eta vs tors. theta energy: -173.540
Dist. restrs. and SS energy: 2.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -2046.213863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.213863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.010545 (E_RNA)
where:
Base-Base interactions energy: -1382.217
where: short stacking energy: -587.386
Base-Backbone interact. energy: 1.525
local terms energy: -668.318046
where:
bonds (distance) C4'-P energy: -108.373
bonds (distance) P-C4' energy: -140.543
flat angles C4'-P-C4' energy: -158.830
flat angles P-C4'-P energy: -96.873
tors. eta vs tors. theta energy: -163.700
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: 9, replica: 6
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -1967.584215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.584215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.553354 (E_RNA)
where:
Base-Base interactions energy: -1329.123
where: short stacking energy: -550.814
Base-Backbone interact. energy: -2.739
local terms energy: -639.691764
where:
bonds (distance) C4'-P energy: -123.059
bonds (distance) P-C4' energy: -144.524
flat angles C4'-P-C4' energy: -138.277
flat angles P-C4'-P energy: -92.295
tors. eta vs tors. theta energy: -141.538
Dist. restrs. and SS energy: 3.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -1877.786603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.786603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.383877 (E_RNA)
where:
Base-Base interactions energy: -1283.536
where: short stacking energy: -533.279
Base-Backbone interact. energy: -0.117
local terms energy: -597.730363
where:
bonds (distance) C4'-P energy: -127.620
bonds (distance) P-C4' energy: -127.609
flat angles C4'-P-C4' energy: -124.630
flat angles P-C4'-P energy: -78.238
tors. eta vs tors. theta energy: -139.633
Dist. restrs. and SS energy: 3.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -2917.306342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2917.306342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2918.749412 (E_RNA)
where:
Base-Base interactions energy: -2032.620
where: short stacking energy: -853.041
Base-Backbone interact. energy: -2.251
local terms energy: -883.878578
where:
bonds (distance) C4'-P energy: -157.396
bonds (distance) P-C4' energy: -158.094
flat angles C4'-P-C4' energy: -194.835
flat angles P-C4'-P energy: -130.814
tors. eta vs tors. theta energy: -242.739
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: 9
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -2821.651899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.651899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.430502 (E_RNA)
where:
Base-Base interactions energy: -1928.673
where: short stacking energy: -828.100
Base-Backbone interact. energy: -1.844
local terms energy: -893.913768
where:
bonds (distance) C4'-P energy: -161.061
bonds (distance) P-C4' energy: -159.650
flat angles C4'-P-C4' energy: -177.002
flat angles P-C4'-P energy: -127.407
tors. eta vs tors. theta energy: -268.793
Dist. restrs. and SS energy: 2.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -2744.768224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.768224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.488003 (E_RNA)
where:
Base-Base interactions energy: -1893.778
where: short stacking energy: -786.572
Base-Backbone interact. energy: -2.394
local terms energy: -851.315625
where:
bonds (distance) C4'-P energy: -152.933
bonds (distance) P-C4' energy: -156.325
flat angles C4'-P-C4' energy: -173.986
flat angles P-C4'-P energy: -130.462
tors. eta vs tors. theta energy: -237.609
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: 4, replica: 2
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -2601.843036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.843036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.818240 (E_RNA)
where:
Base-Base interactions energy: -1784.594
where: short stacking energy: -750.897
Base-Backbone interact. energy: 0.727
local terms energy: -819.951479
where:
bonds (distance) C4'-P energy: -170.764
bonds (distance) P-C4' energy: -139.520
flat angles C4'-P-C4' energy: -178.312
flat angles P-C4'-P energy: -112.223
tors. eta vs tors. theta energy: -219.133
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: 5, replica: 1
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -2503.075839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.075839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.608180 (E_RNA)
where:
Base-Base interactions energy: -1723.268
where: short stacking energy: -707.492
Base-Backbone interact. energy: -0.054
local terms energy: -783.286450
where:
bonds (distance) C4'-P energy: -147.217
bonds (distance) P-C4' energy: -150.924
flat angles C4'-P-C4' energy: -171.247
flat angles P-C4'-P energy: -111.038
tors. eta vs tors. theta energy: -202.860
Dist. restrs. and SS energy: 3.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -2263.035523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.035523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.935823 (E_RNA)
where:
Base-Base interactions energy: -1567.917
where: short stacking energy: -624.429
Base-Backbone interact. energy: 1.432
local terms energy: -698.450436
where:
bonds (distance) C4'-P energy: -133.923
bonds (distance) P-C4' energy: -133.324
flat angles C4'-P-C4' energy: -155.088
flat angles P-C4'-P energy: -107.087
tors. eta vs tors. theta energy: -169.029
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: 7, replica: 4
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -2179.424180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.424180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.267070 (E_RNA)
where:
Base-Base interactions energy: -1514.312
where: short stacking energy: -640.230
Base-Backbone interact. energy: -3.750
local terms energy: -663.205453
where:
bonds (distance) C4'-P energy: -132.677
bonds (distance) P-C4' energy: -126.356
flat angles C4'-P-C4' energy: -153.941
flat angles P-C4'-P energy: -64.843
tors. eta vs tors. theta energy: -185.389
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: 8, replica: 5
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -2039.825497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.825497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.586763 (E_RNA)
where:
Base-Base interactions energy: -1379.409
where: short stacking energy: -583.397
Base-Backbone interact. energy: -0.734
local terms energy: -661.444110
where:
bonds (distance) C4'-P energy: -144.943
bonds (distance) P-C4' energy: -124.051
flat angles C4'-P-C4' energy: -154.451
flat angles P-C4'-P energy: -84.220
tors. eta vs tors. theta energy: -153.779
Dist. restrs. and SS energy: 1.761 (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: 6
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -1926.074680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.074680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.305517 (E_RNA)
where:
Base-Base interactions energy: -1322.679
where: short stacking energy: -568.697
Base-Backbone interact. energy: -1.569
local terms energy: -604.058064
where:
bonds (distance) C4'-P energy: -102.568
bonds (distance) P-C4' energy: -114.368
flat angles C4'-P-C4' energy: -150.307
flat angles P-C4'-P energy: -93.313
tors. eta vs tors. theta energy: -143.503
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: 10, replica: 8
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -1834.214882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.214882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.928486 (E_RNA)
where:
Base-Base interactions energy: -1245.062
where: short stacking energy: -530.300
Base-Backbone interact. energy: 6.268
local terms energy: -604.134811
where:
bonds (distance) C4'-P energy: -116.340
bonds (distance) P-C4' energy: -123.115
flat angles C4'-P-C4' energy: -139.525
flat angles P-C4'-P energy: -85.228
tors. eta vs tors. theta energy: -139.927
Dist. restrs. and SS energy: 8.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -2892.284563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2892.284563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2893.897997 (E_RNA)
where:
Base-Base interactions energy: -2012.198
where: short stacking energy: -845.333
Base-Backbone interact. energy: 4.152
local terms energy: -885.852013
where:
bonds (distance) C4'-P energy: -162.167
bonds (distance) P-C4' energy: -155.928
flat angles C4'-P-C4' energy: -187.703
flat angles P-C4'-P energy: -134.237
tors. eta vs tors. theta energy: -245.818
Dist. restrs. and SS energy: 1.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -2824.012659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.012659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.954465 (E_RNA)
where:
Base-Base interactions energy: -1951.632
where: short stacking energy: -831.438
Base-Backbone interact. energy: -0.783
local terms energy: -873.539516
where:
bonds (distance) C4'-P energy: -154.648
bonds (distance) P-C4' energy: -161.038
flat angles C4'-P-C4' energy: -185.983
flat angles P-C4'-P energy: -116.728
tors. eta vs tors. theta energy: -255.143
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: 3, replica: 10
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -2735.575860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.575860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.218626 (E_RNA)
where:
Base-Base interactions energy: -1910.595
where: short stacking energy: -792.414
Base-Backbone interact. energy: -3.841
local terms energy: -823.782016
where:
bonds (distance) C4'-P energy: -155.960
bonds (distance) P-C4' energy: -149.772
flat angles C4'-P-C4' energy: -165.509
flat angles P-C4'-P energy: -126.012
tors. eta vs tors. theta energy: -226.529
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: 4, replica: 2
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -2637.403801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.403801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.935729 (E_RNA)
where:
Base-Base interactions energy: -1821.305
where: short stacking energy: -752.714
Base-Backbone interact. energy: 2.415
local terms energy: -820.045945
where:
bonds (distance) C4'-P energy: -154.311
bonds (distance) P-C4' energy: -161.700
flat angles C4'-P-C4' energy: -175.618
flat angles P-C4'-P energy: -110.618
tors. eta vs tors. theta energy: -217.799
Dist. restrs. and SS energy: 1.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -2465.172690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.172690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.271307 (E_RNA)
where:
Base-Base interactions energy: -1693.470
where: short stacking energy: -713.731
Base-Backbone interact. energy: -0.330
local terms energy: -774.471824
where:
bonds (distance) C4'-P energy: -137.986
bonds (distance) P-C4' energy: -128.583
flat angles C4'-P-C4' energy: -168.919
flat angles P-C4'-P energy: -127.554
tors. eta vs tors. theta energy: -211.430
Dist. restrs. and SS energy: 3.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -2237.525032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.525032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.306508 (E_RNA)
where:
Base-Base interactions energy: -1557.223
where: short stacking energy: -641.810
Base-Backbone interact. energy: 5.123
local terms energy: -687.206944
where:
bonds (distance) C4'-P energy: -125.839
bonds (distance) P-C4' energy: -139.674
flat angles C4'-P-C4' energy: -160.198
flat angles P-C4'-P energy: -99.345
tors. eta vs tors. theta energy: -162.151
Dist. restrs. and SS energy: 1.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -2147.823379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.823379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.834470 (E_RNA)
where:
Base-Base interactions energy: -1470.558
where: short stacking energy: -601.134
Base-Backbone interact. energy: 0.724
local terms energy: -681.000561
where:
bonds (distance) C4'-P energy: -133.860
bonds (distance) P-C4' energy: -145.881
flat angles C4'-P-C4' energy: -141.064
flat angles P-C4'-P energy: -92.157
tors. eta vs tors. theta energy: -168.039
Dist. restrs. and SS energy: 3.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -2057.411596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.411596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.192693 (E_RNA)
where:
Base-Base interactions energy: -1381.549
where: short stacking energy: -568.185
Base-Backbone interact. energy: 2.233
local terms energy: -679.876326
where:
bonds (distance) C4'-P energy: -126.599
bonds (distance) P-C4' energy: -158.273
flat angles C4'-P-C4' energy: -141.311
flat angles P-C4'-P energy: -106.529
tors. eta vs tors. theta energy: -147.164
Dist. restrs. and SS energy: 1.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -1926.488904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.488904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.202774 (E_RNA)
where:
Base-Base interactions energy: -1329.618
where: short stacking energy: -546.805
Base-Backbone interact. energy: 1.945
local terms energy: -601.530488
where:
bonds (distance) C4'-P energy: -111.904
bonds (distance) P-C4' energy: -136.165
flat angles C4'-P-C4' energy: -149.189
flat angles P-C4'-P energy: -83.130
tors. eta vs tors. theta energy: -121.143
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: 10, replica: 8
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -1877.580750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.580750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.639693 (E_RNA)
where:
Base-Base interactions energy: -1321.183
where: short stacking energy: -561.986
Base-Backbone interact. energy: 2.372
local terms energy: -563.828911
where:
bonds (distance) C4'-P energy: -120.691
bonds (distance) P-C4' energy: -106.247
flat angles C4'-P-C4' energy: -129.830
flat angles P-C4'-P energy: -81.371
tors. eta vs tors. theta energy: -125.690
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: 1, replica: 7
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -2902.935689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2902.935689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2905.306635 (E_RNA)
where:
Base-Base interactions energy: -2010.365
where: short stacking energy: -800.253
Base-Backbone interact. energy: -2.975
local terms energy: -891.967405
where:
bonds (distance) C4'-P energy: -160.189
bonds (distance) P-C4' energy: -166.952
flat angles C4'-P-C4' energy: -189.069
flat angles P-C4'-P energy: -131.311
tors. eta vs tors. theta energy: -244.446
Dist. restrs. and SS energy: 2.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -2812.363924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.363924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.091540 (E_RNA)
where:
Base-Base interactions energy: -1945.416
where: short stacking energy: -809.027
Base-Backbone interact. energy: -1.759
local terms energy: -867.916008
where:
bonds (distance) C4'-P energy: -157.638
bonds (distance) P-C4' energy: -160.104
flat angles C4'-P-C4' energy: -169.453
flat angles P-C4'-P energy: -135.456
tors. eta vs tors. theta energy: -245.265
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: 3, replica: 10
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -2739.035188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.035188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.317602 (E_RNA)
where:
Base-Base interactions energy: -1905.720
where: short stacking energy: -787.462
Base-Backbone interact. energy: 13.829
local terms energy: -848.426699
where:
bonds (distance) C4'-P energy: -154.916
bonds (distance) P-C4' energy: -169.797
flat angles C4'-P-C4' energy: -171.248
flat angles P-C4'-P energy: -126.558
tors. eta vs tors. theta energy: -225.909
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: 329
Temperature: 1.050000
Total energy: -2651.175190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.175190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.629467 (E_RNA)
where:
Base-Base interactions energy: -1810.651
where: short stacking energy: -753.618
Base-Backbone interact. energy: 0.870
local terms energy: -843.848811
where:
bonds (distance) C4'-P energy: -164.851
bonds (distance) P-C4' energy: -150.810
flat angles C4'-P-C4' energy: -164.570
flat angles P-C4'-P energy: -127.717
tors. eta vs tors. theta energy: -235.902
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: 5, replica: 1
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -2462.704725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.704725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.654676 (E_RNA)
where:
Base-Base interactions energy: -1731.650
where: short stacking energy: -711.577
Base-Backbone interact. energy: -1.949
local terms energy: -731.056017
where:
bonds (distance) C4'-P energy: -123.631
bonds (distance) P-C4' energy: -135.753
flat angles C4'-P-C4' energy: -171.757
flat angles P-C4'-P energy: -101.474
tors. eta vs tors. theta energy: -198.440
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: 6, replica: 3
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -2262.878765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.878765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.950845 (E_RNA)
where:
Base-Base interactions energy: -1514.789
where: short stacking energy: -654.694
Base-Backbone interact. energy: -3.427
local terms energy: -748.734728
where:
bonds (distance) C4'-P energy: -150.792
bonds (distance) P-C4' energy: -152.325
flat angles C4'-P-C4' energy: -158.201
flat angles P-C4'-P energy: -100.610
tors. eta vs tors. theta energy: -186.807
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: 7, replica: 4
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -2098.162315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.162315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.293741 (E_RNA)
where:
Base-Base interactions energy: -1396.565
where: short stacking energy: -621.252
Base-Backbone interact. energy: 4.687
local terms energy: -709.415883
where:
bonds (distance) C4'-P energy: -160.590
bonds (distance) P-C4' energy: -131.241
flat angles C4'-P-C4' energy: -146.644
flat angles P-C4'-P energy: -93.461
tors. eta vs tors. theta energy: -177.479
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: 5
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -2057.900409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.900409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.629569 (E_RNA)
where:
Base-Base interactions energy: -1389.659
where: short stacking energy: -608.468
Base-Backbone interact. energy: 6.638
local terms energy: -677.608985
where:
bonds (distance) C4'-P energy: -122.677
bonds (distance) P-C4' energy: -141.466
flat angles C4'-P-C4' energy: -146.475
flat angles P-C4'-P energy: -90.296
tors. eta vs tors. theta energy: -176.695
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: 9, replica: 6
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -1924.089245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.089245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.970648 (E_RNA)
where:
Base-Base interactions energy: -1302.469
where: short stacking energy: -545.213
Base-Backbone interact. energy: 2.125
local terms energy: -626.626498
where:
bonds (distance) C4'-P energy: -136.573
bonds (distance) P-C4' energy: -129.551
flat angles C4'-P-C4' energy: -131.621
flat angles P-C4'-P energy: -95.959
tors. eta vs tors. theta energy: -132.922
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: 10, replica: 8
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -1887.560218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.560218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.127111 (E_RNA)
where:
Base-Base interactions energy: -1328.683
where: short stacking energy: -544.169
Base-Backbone interact. energy: -3.684
local terms energy: -561.760409
where:
bonds (distance) C4'-P energy: -101.967
bonds (distance) P-C4' energy: -134.172
flat angles C4'-P-C4' energy: -126.302
flat angles P-C4'-P energy: -78.398
tors. eta vs tors. theta energy: -120.921
Dist. restrs. and SS energy: 6.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -2902.971477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2902.971477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2905.706216 (E_RNA)
where:
Base-Base interactions energy: -2023.404
where: short stacking energy: -829.244
Base-Backbone interact. energy: -2.190
local terms energy: -880.112179
where:
bonds (distance) C4'-P energy: -158.859
bonds (distance) P-C4' energy: -156.293
flat angles C4'-P-C4' energy: -189.636
flat angles P-C4'-P energy: -129.964
tors. eta vs tors. theta energy: -245.360
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: 2, replica: 9
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -2852.434884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2852.434884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2854.004885 (E_RNA)
where:
Base-Base interactions energy: -1978.956
where: short stacking energy: -838.305
Base-Backbone interact. energy: -2.365
local terms energy: -872.683884
where:
bonds (distance) C4'-P energy: -171.671
bonds (distance) P-C4' energy: -153.953
flat angles C4'-P-C4' energy: -171.617
flat angles P-C4'-P energy: -123.100
tors. eta vs tors. theta energy: -252.342
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: 3, replica: 10
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -2707.865678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.865678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.808631 (E_RNA)
where:
Base-Base interactions energy: -1885.813
where: short stacking energy: -769.570
Base-Backbone interact. energy: -5.588
local terms energy: -818.407941
where:
bonds (distance) C4'-P energy: -140.209
bonds (distance) P-C4' energy: -162.879
flat angles C4'-P-C4' energy: -170.751
flat angles P-C4'-P energy: -120.987
tors. eta vs tors. theta energy: -223.582
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: 4, replica: 2
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -2659.122501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.122501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.085908 (E_RNA)
where:
Base-Base interactions energy: -1855.627
where: short stacking energy: -757.499
Base-Backbone interact. energy: -1.940
local terms energy: -803.518991
where:
bonds (distance) C4'-P energy: -144.960
bonds (distance) P-C4' energy: -164.330
flat angles C4'-P-C4' energy: -171.721
flat angles P-C4'-P energy: -97.013
tors. eta vs tors. theta energy: -225.495
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: 5, replica: 1
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -2427.657600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.657600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.174572 (E_RNA)
where:
Base-Base interactions energy: -1655.773
where: short stacking energy: -690.747
Base-Backbone interact. energy: 0.496
local terms energy: -774.898447
where:
bonds (distance) C4'-P energy: -139.958
bonds (distance) P-C4' energy: -148.955
flat angles C4'-P-C4' energy: -175.143
flat angles P-C4'-P energy: -113.753
tors. eta vs tors. theta energy: -197.090
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: 6, replica: 3
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -2276.049422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.049422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.535741 (E_RNA)
where:
Base-Base interactions energy: -1547.099
where: short stacking energy: -637.462
Base-Backbone interact. energy: 0.731
local terms energy: -732.167786
where:
bonds (distance) C4'-P energy: -136.655
bonds (distance) P-C4' energy: -146.084
flat angles C4'-P-C4' energy: -166.040
flat angles P-C4'-P energy: -104.424
tors. eta vs tors. theta energy: -178.964
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: 4
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -2115.912441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.912441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.001903 (E_RNA)
where:
Base-Base interactions energy: -1434.583
where: short stacking energy: -639.604
Base-Backbone interact. energy: 2.195
local terms energy: -685.613524
where:
bonds (distance) C4'-P energy: -122.822
bonds (distance) P-C4' energy: -141.729
flat angles C4'-P-C4' energy: -152.441
flat angles P-C4'-P energy: -101.799
tors. eta vs tors. theta energy: -166.822
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: 5
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -2017.477745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.477745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.653345 (E_RNA)
where:
Base-Base interactions energy: -1356.318
where: short stacking energy: -570.487
Base-Backbone interact. energy: 2.433
local terms energy: -667.768171
where:
bonds (distance) C4'-P energy: -141.278
bonds (distance) P-C4' energy: -118.247
flat angles C4'-P-C4' energy: -147.654
flat angles P-C4'-P energy: -99.460
tors. eta vs tors. theta energy: -161.130
Dist. restrs. and SS energy: 4.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -1893.550639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.550639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.000185 (E_RNA)
where:
Base-Base interactions energy: -1287.384
where: short stacking energy: -529.258
Base-Backbone interact. energy: 4.750
local terms energy: -619.366188
where:
bonds (distance) C4'-P energy: -117.542
bonds (distance) P-C4' energy: -121.620
flat angles C4'-P-C4' energy: -156.371
flat angles P-C4'-P energy: -92.848
tors. eta vs tors. theta energy: -130.986
Dist. restrs. and SS energy: 8.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -1868.418928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.418928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.135223 (E_RNA)
where:
Base-Base interactions energy: -1283.353
where: short stacking energy: -533.345
Base-Backbone interact. energy: -1.318
local terms energy: -587.463929
where:
bonds (distance) C4'-P energy: -127.092
bonds (distance) P-C4' energy: -122.292
flat angles C4'-P-C4' energy: -139.730
flat angles P-C4'-P energy: -70.835
tors. eta vs tors. theta energy: -127.515
Dist. restrs. and SS energy: 3.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -2906.965771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2906.965771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2908.969565 (E_RNA)
where:
Base-Base interactions energy: -2030.599
where: short stacking energy: -838.812
Base-Backbone interact. energy: -0.625
local terms energy: -877.745579
where:
bonds (distance) C4'-P energy: -172.207
bonds (distance) P-C4' energy: -169.666
flat angles C4'-P-C4' energy: -177.495
flat angles P-C4'-P energy: -111.839
tors. eta vs tors. theta energy: -246.538
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: 2, replica: 9
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -2806.407649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.407649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.020811 (E_RNA)
where:
Base-Base interactions energy: -1937.553
where: short stacking energy: -819.049
Base-Backbone interact. energy: -4.366
local terms energy: -867.101758
where:
bonds (distance) C4'-P energy: -159.730
bonds (distance) P-C4' energy: -160.076
flat angles C4'-P-C4' energy: -185.276
flat angles P-C4'-P energy: -110.482
tors. eta vs tors. theta energy: -251.537
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: 3, replica: 10
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -2679.254841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.254841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.297120 (E_RNA)
where:
Base-Base interactions energy: -1861.739
where: short stacking energy: -777.865
Base-Backbone interact. energy: -2.447
local terms energy: -817.111051
where:
bonds (distance) C4'-P energy: -146.272
bonds (distance) P-C4' energy: -159.586
flat angles C4'-P-C4' energy: -167.379
flat angles P-C4'-P energy: -105.743
tors. eta vs tors. theta energy: -238.131
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: 4, replica: 2
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -2645.818058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.818058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.227719 (E_RNA)
where:
Base-Base interactions energy: -1840.867
where: short stacking energy: -756.096
Base-Backbone interact. energy: -1.791
local terms energy: -804.569345
where:
bonds (distance) C4'-P energy: -141.552
bonds (distance) P-C4' energy: -156.698
flat angles C4'-P-C4' energy: -174.802
flat angles P-C4'-P energy: -105.559
tors. eta vs tors. theta energy: -225.958
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: 1
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -2474.834217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.834217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.972281 (E_RNA)
where:
Base-Base interactions energy: -1711.196
where: short stacking energy: -707.434
Base-Backbone interact. energy: 0.469
local terms energy: -767.245630
where:
bonds (distance) C4'-P energy: -134.906
bonds (distance) P-C4' energy: -149.113
flat angles C4'-P-C4' energy: -169.743
flat angles P-C4'-P energy: -102.742
tors. eta vs tors. theta energy: -210.742
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: 6, replica: 3
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -2253.442605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.442605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.561730 (E_RNA)
where:
Base-Base interactions energy: -1559.946
where: short stacking energy: -642.571
Base-Backbone interact. energy: -1.672
local terms energy: -693.944257
where:
bonds (distance) C4'-P energy: -131.866
bonds (distance) P-C4' energy: -150.887
flat angles C4'-P-C4' energy: -138.963
flat angles P-C4'-P energy: -97.631
tors. eta vs tors. theta energy: -174.598
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: 4
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -2090.569902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.569902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.767199 (E_RNA)
where:
Base-Base interactions energy: -1382.661
where: short stacking energy: -589.027
Base-Backbone interact. energy: -0.361
local terms energy: -710.745594
where:
bonds (distance) C4'-P energy: -140.212
bonds (distance) P-C4' energy: -126.765
flat angles C4'-P-C4' energy: -170.634
flat angles P-C4'-P energy: -101.513
tors. eta vs tors. theta energy: -171.622
Dist. restrs. and SS energy: 3.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -2111.438744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.438744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.336699 (E_RNA)
where:
Base-Base interactions energy: -1395.426
where: short stacking energy: -612.637
Base-Backbone interact. energy: -0.708
local terms energy: -717.202514
where:
bonds (distance) C4'-P energy: -118.491
bonds (distance) P-C4' energy: -150.729
flat angles C4'-P-C4' energy: -167.300
flat angles P-C4'-P energy: -98.568
tors. eta vs tors. theta energy: -182.114
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: 9, replica: 8
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -1850.927438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.927438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.920949 (E_RNA)
where:
Base-Base interactions energy: -1275.929
where: short stacking energy: -532.929
Base-Backbone interact. energy: -0.543
local terms energy: -580.449324
where:
bonds (distance) C4'-P energy: -112.915
bonds (distance) P-C4' energy: -135.304
flat angles C4'-P-C4' energy: -131.469
flat angles P-C4'-P energy: -76.889
tors. eta vs tors. theta energy: -123.873
Dist. restrs. and SS energy: 5.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -1857.689966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.689966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.741379 (E_RNA)
where:
Base-Base interactions energy: -1273.513
where: short stacking energy: -515.059
Base-Backbone interact. energy: 3.436
local terms energy: -589.664741
where:
bonds (distance) C4'-P energy: -112.160
bonds (distance) P-C4' energy: -131.303
flat angles C4'-P-C4' energy: -146.883
flat angles P-C4'-P energy: -78.853
tors. eta vs tors. theta energy: -120.465
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: 1, replica: 7
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -2908.755758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2908.755758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2912.175664 (E_RNA)
where:
Base-Base interactions energy: -2041.416
where: short stacking energy: -803.804
Base-Backbone interact. energy: -5.382
local terms energy: -865.377312
where:
bonds (distance) C4'-P energy: -162.446
bonds (distance) P-C4' energy: -158.975
flat angles C4'-P-C4' energy: -177.420
flat angles P-C4'-P energy: -116.906
tors. eta vs tors. theta energy: -249.629
Dist. restrs. and SS energy: 3.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -2806.981982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.981982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.487820 (E_RNA)
where:
Base-Base interactions energy: -1914.742
where: short stacking energy: -811.562
Base-Backbone interact. energy: -1.622
local terms energy: -893.123418
where:
bonds (distance) C4'-P energy: -164.929
bonds (distance) P-C4' energy: -175.287
flat angles C4'-P-C4' energy: -185.068
flat angles P-C4'-P energy: -120.828
tors. eta vs tors. theta energy: -247.011
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: 10
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -2694.719577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.719577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.829629 (E_RNA)
where:
Base-Base interactions energy: -1859.313
where: short stacking energy: -783.792
Base-Backbone interact. energy: -5.427
local terms energy: -832.090332
where:
bonds (distance) C4'-P energy: -164.522
bonds (distance) P-C4' energy: -158.866
flat angles C4'-P-C4' energy: -184.028
flat angles P-C4'-P energy: -106.111
tors. eta vs tors. theta energy: -218.562
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: 4, replica: 2
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -2649.755959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.755959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.273178 (E_RNA)
where:
Base-Base interactions energy: -1827.577
where: short stacking energy: -745.713
Base-Backbone interact. energy: -2.169
local terms energy: -821.527860
where:
bonds (distance) C4'-P energy: -158.649
bonds (distance) P-C4' energy: -152.288
flat angles C4'-P-C4' energy: -175.540
flat angles P-C4'-P energy: -113.498
tors. eta vs tors. theta energy: -221.553
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: 5, replica: 1
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -2419.836988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.836988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.062370 (E_RNA)
where:
Base-Base interactions energy: -1672.705
where: short stacking energy: -671.207
Base-Backbone interact. energy: -3.238
local terms energy: -746.119555
where:
bonds (distance) C4'-P energy: -148.017
bonds (distance) P-C4' energy: -157.138
flat angles C4'-P-C4' energy: -159.941
flat angles P-C4'-P energy: -99.093
tors. eta vs tors. theta energy: -181.931
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: 6, replica: 3
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -2272.295497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.295497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.984410 (E_RNA)
where:
Base-Base interactions energy: -1555.834
where: short stacking energy: -659.918
Base-Backbone interact. energy: -1.845
local terms energy: -717.305424
where:
bonds (distance) C4'-P energy: -136.149
bonds (distance) P-C4' energy: -159.496
flat angles C4'-P-C4' energy: -143.995
flat angles P-C4'-P energy: -90.910
tors. eta vs tors. theta energy: -186.756
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: 4
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -2108.831044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.831044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.661221 (E_RNA)
where:
Base-Base interactions energy: -1406.894
where: short stacking energy: -589.216
Base-Backbone interact. energy: 5.035
local terms energy: -708.802919
where:
bonds (distance) C4'-P energy: -140.619
bonds (distance) P-C4' energy: -137.774
flat angles C4'-P-C4' energy: -153.652
flat angles P-C4'-P energy: -118.880
tors. eta vs tors. theta energy: -157.877
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: 8, replica: 5
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -2007.148621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.148621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.932080 (E_RNA)
where:
Base-Base interactions energy: -1367.275
where: short stacking energy: -587.097
Base-Backbone interact. energy: -1.545
local terms energy: -641.112752
where:
bonds (distance) C4'-P energy: -97.053
bonds (distance) P-C4' energy: -145.302
flat angles C4'-P-C4' energy: -149.359
flat angles P-C4'-P energy: -99.218
tors. eta vs tors. theta energy: -150.181
Dist. restrs. and SS energy: 2.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -1992.556375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.556375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.449239 (E_RNA)
where:
Base-Base interactions energy: -1354.758
where: short stacking energy: -575.417
Base-Backbone interact. energy: 2.517
local terms energy: -643.209004
where:
bonds (distance) C4'-P energy: -135.333
bonds (distance) P-C4' energy: -135.897
flat angles C4'-P-C4' energy: -131.404
flat angles P-C4'-P energy: -106.082
tors. eta vs tors. theta energy: -134.493
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: 332
Temperature: 1.350000
Total energy: -1830.502126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.502126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.448891 (E_RNA)
where:
Base-Base interactions energy: -1238.263
where: short stacking energy: -510.267
Base-Backbone interact. energy: 3.319
local terms energy: -605.504556
where:
bonds (distance) C4'-P energy: -136.949
bonds (distance) P-C4' energy: -123.750
flat angles C4'-P-C4' energy: -131.821
flat angles P-C4'-P energy: -76.923
tors. eta vs tors. theta energy: -136.061
Dist. restrs. and SS energy: 9.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -2899.733554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2899.733554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2902.462615 (E_RNA)
where:
Base-Base interactions energy: -2000.986
where: short stacking energy: -855.265
Base-Backbone interact. energy: 3.097
local terms energy: -904.573631
where:
bonds (distance) C4'-P energy: -151.863
bonds (distance) P-C4' energy: -169.537
flat angles C4'-P-C4' energy: -197.159
flat angles P-C4'-P energy: -125.001
tors. eta vs tors. theta energy: -261.013
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: 2, replica: 9
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -2817.845006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.845006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.288985 (E_RNA)
where:
Base-Base interactions energy: -1950.931
where: short stacking energy: -817.420
Base-Backbone interact. energy: 2.702
local terms energy: -871.059880
where:
bonds (distance) C4'-P energy: -151.301
bonds (distance) P-C4' energy: -161.757
flat angles C4'-P-C4' energy: -184.827
flat angles P-C4'-P energy: -124.393
tors. eta vs tors. theta energy: -248.783
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: 10
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -2713.591638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.591638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.926934 (E_RNA)
where:
Base-Base interactions energy: -1917.425
where: short stacking energy: -765.607
Base-Backbone interact. energy: -1.072
local terms energy: -796.430233
where:
bonds (distance) C4'-P energy: -132.927
bonds (distance) P-C4' energy: -150.361
flat angles C4'-P-C4' energy: -169.126
flat angles P-C4'-P energy: -116.285
tors. eta vs tors. theta energy: -227.730
Dist. restrs. and SS energy: 1.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -2659.104231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.104231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.755596 (E_RNA)
where:
Base-Base interactions energy: -1804.092
where: short stacking energy: -733.408
Base-Backbone interact. energy: -1.500
local terms energy: -856.164361
where:
bonds (distance) C4'-P energy: -158.376
bonds (distance) P-C4' energy: -175.454
flat angles C4'-P-C4' energy: -180.603
flat angles P-C4'-P energy: -123.055
tors. eta vs tors. theta energy: -218.675
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: 5, replica: 1
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -2449.712529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.712529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.547603 (E_RNA)
where:
Base-Base interactions energy: -1687.547
where: short stacking energy: -704.235
Base-Backbone interact. energy: -4.854
local terms energy: -759.147096
where:
bonds (distance) C4'-P energy: -140.160
bonds (distance) P-C4' energy: -138.912
flat angles C4'-P-C4' energy: -164.004
flat angles P-C4'-P energy: -116.175
tors. eta vs tors. theta energy: -199.896
Dist. restrs. and SS energy: 1.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -2283.672896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.672896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.315033 (E_RNA)
where:
Base-Base interactions energy: -1566.903
where: short stacking energy: -644.758
Base-Backbone interact. energy: 2.376
local terms energy: -722.788502
where:
bonds (distance) C4'-P energy: -121.519
bonds (distance) P-C4' energy: -149.151
flat angles C4'-P-C4' energy: -162.251
flat angles P-C4'-P energy: -107.634
tors. eta vs tors. theta energy: -182.234
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: 7, replica: 4
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -2095.096339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.096339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.005502 (E_RNA)
where:
Base-Base interactions energy: -1448.527
where: short stacking energy: -621.910
Base-Backbone interact. energy: -2.241
local terms energy: -649.237391
where:
bonds (distance) C4'-P energy: -134.324
bonds (distance) P-C4' energy: -111.903
flat angles C4'-P-C4' energy: -140.454
flat angles P-C4'-P energy: -99.976
tors. eta vs tors. theta energy: -162.579
Dist. restrs. and SS energy: 4.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -2062.277303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.277303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.347478 (E_RNA)
where:
Base-Base interactions energy: -1412.044
where: short stacking energy: -607.042
Base-Backbone interact. energy: -0.943
local terms energy: -651.360573
where:
bonds (distance) C4'-P energy: -135.232
bonds (distance) P-C4' energy: -119.554
flat angles C4'-P-C4' energy: -151.104
flat angles P-C4'-P energy: -80.049
tors. eta vs tors. theta energy: -165.422
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: 9, replica: 6
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -1916.138811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.138811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.280588 (E_RNA)
where:
Base-Base interactions energy: -1287.052
where: short stacking energy: -532.707
Base-Backbone interact. energy: -3.996
local terms energy: -629.232234
where:
bonds (distance) C4'-P energy: -127.325
bonds (distance) P-C4' energy: -143.012
flat angles C4'-P-C4' energy: -134.612
flat angles P-C4'-P energy: -80.685
tors. eta vs tors. theta energy: -143.598
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: 8
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -1798.307532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.307532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.923301 (E_RNA)
where:
Base-Base interactions energy: -1237.267
where: short stacking energy: -497.443
Base-Backbone interact. energy: -1.251
local terms energy: -562.405377
where:
bonds (distance) C4'-P energy: -134.276
bonds (distance) P-C4' energy: -118.348
flat angles C4'-P-C4' energy: -131.772
flat angles P-C4'-P energy: -81.926
tors. eta vs tors. theta energy: -96.083
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: 1, replica: 7
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -2894.199592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2894.199592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2896.642871 (E_RNA)
where:
Base-Base interactions energy: -2019.363
where: short stacking energy: -833.780
Base-Backbone interact. energy: -2.115
local terms energy: -875.164718
where:
bonds (distance) C4'-P energy: -149.404
bonds (distance) P-C4' energy: -173.365
flat angles C4'-P-C4' energy: -187.817
flat angles P-C4'-P energy: -116.348
tors. eta vs tors. theta energy: -248.231
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: 9
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -2807.057114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.057114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.364287 (E_RNA)
where:
Base-Base interactions energy: -1964.844
where: short stacking energy: -836.107
Base-Backbone interact. energy: 2.890
local terms energy: -847.409884
where:
bonds (distance) C4'-P energy: -142.533
bonds (distance) P-C4' energy: -157.013
flat angles C4'-P-C4' energy: -188.080
flat angles P-C4'-P energy: -105.956
tors. eta vs tors. theta energy: -253.828
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: 3, replica: 10
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -2762.304524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.304524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.710976 (E_RNA)
where:
Base-Base interactions energy: -1905.059
where: short stacking energy: -769.850
Base-Backbone interact. energy: -3.098
local terms energy: -855.553343
where:
bonds (distance) C4'-P energy: -150.871
bonds (distance) P-C4' energy: -166.095
flat angles C4'-P-C4' energy: -183.933
flat angles P-C4'-P energy: -127.711
tors. eta vs tors. theta energy: -226.944
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: 4, replica: 2
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -2663.797308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.797308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.759658 (E_RNA)
where:
Base-Base interactions energy: -1839.431
where: short stacking energy: -772.376
Base-Backbone interact. energy: -2.017
local terms energy: -823.311599
where:
bonds (distance) C4'-P energy: -152.234
bonds (distance) P-C4' energy: -151.871
flat angles C4'-P-C4' energy: -179.497
flat angles P-C4'-P energy: -114.772
tors. eta vs tors. theta energy: -224.938
Dist. restrs. and SS energy: 0.962 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -2446.016745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.016745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.791464 (E_RNA)
where:
Base-Base interactions energy: -1701.190
where: short stacking energy: -699.036
Base-Backbone interact. energy: 0.728
local terms energy: -748.329945
where:
bonds (distance) C4'-P energy: -133.905
bonds (distance) P-C4' energy: -147.315
flat angles C4'-P-C4' energy: -164.144
flat angles P-C4'-P energy: -108.618
tors. eta vs tors. theta energy: -194.348
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: 6, replica: 3
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -2287.297088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.297088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.995520 (E_RNA)
where:
Base-Base interactions energy: -1589.147
where: short stacking energy: -651.155
Base-Backbone interact. energy: 1.344
local terms energy: -704.192344
where:
bonds (distance) C4'-P energy: -122.153
bonds (distance) P-C4' energy: -148.720
flat angles C4'-P-C4' energy: -154.329
flat angles P-C4'-P energy: -97.265
tors. eta vs tors. theta energy: -181.724
Dist. restrs. and SS energy: 4.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -2135.622539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.622539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.632071 (E_RNA)
where:
Base-Base interactions energy: -1470.674
where: short stacking energy: -615.733
Base-Backbone interact. energy: -1.753
local terms energy: -666.204482
where:
bonds (distance) C4'-P energy: -137.652
bonds (distance) P-C4' energy: -111.992
flat angles C4'-P-C4' energy: -152.771
flat angles P-C4'-P energy: -100.751
tors. eta vs tors. theta energy: -163.039
Dist. restrs. and SS energy: 3.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -2084.312876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.312876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.274873 (E_RNA)
where:
Base-Base interactions energy: -1387.314
where: short stacking energy: -594.287
Base-Backbone interact. energy: -1.557
local terms energy: -698.404834
where:
bonds (distance) C4'-P energy: -142.597
bonds (distance) P-C4' energy: -142.998
flat angles C4'-P-C4' energy: -155.361
flat angles P-C4'-P energy: -90.782
tors. eta vs tors. theta energy: -166.667
Dist. restrs. and SS energy: 2.962 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -1969.198325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.198325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.557233 (E_RNA)
where:
Base-Base interactions energy: -1367.451
where: short stacking energy: -551.344
Base-Backbone interact. energy: -1.507
local terms energy: -605.598921
where:
bonds (distance) C4'-P energy: -126.755
bonds (distance) P-C4' energy: -116.289
flat angles C4'-P-C4' energy: -141.554
flat angles P-C4'-P energy: -88.864
tors. eta vs tors. theta energy: -132.138
Dist. restrs. and SS energy: 5.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -1795.588235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.588235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.067661 (E_RNA)
where:
Base-Base interactions energy: -1217.800
where: short stacking energy: -496.955
Base-Backbone interact. energy: 4.656
local terms energy: -586.923830
where:
bonds (distance) C4'-P energy: -108.650
bonds (distance) P-C4' energy: -129.747
flat angles C4'-P-C4' energy: -137.163
flat angles P-C4'-P energy: -83.294
tors. eta vs tors. theta energy: -128.069
Dist. restrs. and SS energy: 4.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -2889.725478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2889.725478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2892.448919 (E_RNA)
where:
Base-Base interactions energy: -1991.753
where: short stacking energy: -837.688
Base-Backbone interact. energy: -1.407
local terms energy: -899.288991
where:
bonds (distance) C4'-P energy: -163.035
bonds (distance) P-C4' energy: -168.001
flat angles C4'-P-C4' energy: -189.869
flat angles P-C4'-P energy: -125.430
tors. eta vs tors. theta energy: -252.954
Dist. restrs. and SS energy: 2.723 (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: 335
Temperature: 0.950000
Total energy: -2796.601126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.601126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.146242 (E_RNA)
where:
Base-Base interactions energy: -1944.001
where: short stacking energy: -834.527
Base-Backbone interact. energy: 2.106
local terms energy: -858.251381
where:
bonds (distance) C4'-P energy: -139.075
bonds (distance) P-C4' energy: -172.149
flat angles C4'-P-C4' energy: -175.618
flat angles P-C4'-P energy: -121.909
tors. eta vs tors. theta energy: -249.500
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: 3, replica: 10
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -2709.435648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.435648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.523349 (E_RNA)
where:
Base-Base interactions energy: -1899.180
where: short stacking energy: -778.823
Base-Backbone interact. energy: -0.058
local terms energy: -812.285686
where:
bonds (distance) C4'-P energy: -139.573
bonds (distance) P-C4' energy: -153.662
flat angles C4'-P-C4' energy: -177.500
flat angles P-C4'-P energy: -109.596
tors. eta vs tors. theta energy: -231.955
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: 4, replica: 2
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -2699.749240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.749240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.629665 (E_RNA)
where:
Base-Base interactions energy: -1873.568
where: short stacking energy: -775.300
Base-Backbone interact. energy: -2.960
local terms energy: -825.101748
where:
bonds (distance) C4'-P energy: -136.939
bonds (distance) P-C4' energy: -160.638
flat angles C4'-P-C4' energy: -169.054
flat angles P-C4'-P energy: -129.311
tors. eta vs tors. theta energy: -229.159
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: 5, replica: 1
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -2437.926922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.926922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.329489 (E_RNA)
where:
Base-Base interactions energy: -1690.136
where: short stacking energy: -676.098
Base-Backbone interact. energy: -3.106
local terms energy: -746.087641
where:
bonds (distance) C4'-P energy: -155.662
bonds (distance) P-C4' energy: -146.668
flat angles C4'-P-C4' energy: -142.911
flat angles P-C4'-P energy: -116.170
tors. eta vs tors. theta energy: -184.677
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: 6, replica: 3
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -2316.585866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.585866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.991359 (E_RNA)
where:
Base-Base interactions energy: -1587.980
where: short stacking energy: -675.750
Base-Backbone interact. energy: -0.995
local terms energy: -729.015614
where:
bonds (distance) C4'-P energy: -143.101
bonds (distance) P-C4' energy: -121.410
flat angles C4'-P-C4' energy: -157.707
flat angles P-C4'-P energy: -104.592
tors. eta vs tors. theta energy: -202.206
Dist. restrs. and SS energy: 1.405 (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: 4
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -2148.164900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.164900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.604762 (E_RNA)
where:
Base-Base interactions energy: -1479.022
where: short stacking energy: -634.687
Base-Backbone interact. energy: 6.244
local terms energy: -677.827075
where:
bonds (distance) C4'-P energy: -133.861
bonds (distance) P-C4' energy: -144.683
flat angles C4'-P-C4' energy: -150.491
flat angles P-C4'-P energy: -83.067
tors. eta vs tors. theta energy: -165.725
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: 8, replica: 5
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -2075.937973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.937973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.469112 (E_RNA)
where:
Base-Base interactions energy: -1401.619
where: short stacking energy: -595.951
Base-Backbone interact. energy: -1.652
local terms energy: -675.197844
where:
bonds (distance) C4'-P energy: -128.474
bonds (distance) P-C4' energy: -129.127
flat angles C4'-P-C4' energy: -157.214
flat angles P-C4'-P energy: -100.785
tors. eta vs tors. theta energy: -159.599
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: 6
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -1916.793396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.793396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.132944 (E_RNA)
where:
Base-Base interactions energy: -1331.851
where: short stacking energy: -547.589
Base-Backbone interact. energy: -5.125
local terms energy: -584.156925
where:
bonds (distance) C4'-P energy: -101.530
bonds (distance) P-C4' energy: -113.772
flat angles C4'-P-C4' energy: -140.168
flat angles P-C4'-P energy: -88.032
tors. eta vs tors. theta energy: -140.655
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: 10, replica: 8
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -1804.424031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.424031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.184696 (E_RNA)
where:
Base-Base interactions energy: -1230.249
where: short stacking energy: -508.931
Base-Backbone interact. energy: -1.427
local terms energy: -576.508839
where:
bonds (distance) C4'-P energy: -110.926
bonds (distance) P-C4' energy: -141.238
flat angles C4'-P-C4' energy: -137.265
flat angles P-C4'-P energy: -78.427
tors. eta vs tors. theta energy: -108.652
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: 1, replica: 7
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -2928.068586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2928.068586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2929.415672 (E_RNA)
where:
Base-Base interactions energy: -2056.834
where: short stacking energy: -858.114
Base-Backbone interact. energy: -1.864
local terms energy: -870.717882
where:
bonds (distance) C4'-P energy: -158.593
bonds (distance) P-C4' energy: -149.298
flat angles C4'-P-C4' energy: -179.023
flat angles P-C4'-P energy: -132.391
tors. eta vs tors. theta energy: -251.412
Dist. restrs. and SS energy: 1.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -2812.353603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.353603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.604318 (E_RNA)
where:
Base-Base interactions energy: -1930.325
where: short stacking energy: -827.876
Base-Backbone interact. energy: -4.652
local terms energy: -879.626996
where:
bonds (distance) C4'-P energy: -157.540
bonds (distance) P-C4' energy: -168.541
flat angles C4'-P-C4' energy: -193.808
flat angles P-C4'-P energy: -117.811
tors. eta vs tors. theta energy: -241.927
Dist. restrs. and SS energy: 2.251 (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: 2
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -2707.638247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.638247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.139859 (E_RNA)
where:
Base-Base interactions energy: -1887.932
where: short stacking energy: -799.338
Base-Backbone interact. energy: -1.847
local terms energy: -819.361349
where:
bonds (distance) C4'-P energy: -149.457
bonds (distance) P-C4' energy: -153.942
flat angles C4'-P-C4' energy: -169.976
flat angles P-C4'-P energy: -129.470
tors. eta vs tors. theta energy: -216.516
Dist. restrs. and SS energy: 1.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -2678.570363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.570363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.346482 (E_RNA)
where:
Base-Base interactions energy: -1889.322
where: short stacking energy: -760.460
Base-Backbone interact. energy: 9.479
local terms energy: -799.503123
where:
bonds (distance) C4'-P energy: -140.993
bonds (distance) P-C4' energy: -153.760
flat angles C4'-P-C4' energy: -170.321
flat angles P-C4'-P energy: -110.030
tors. eta vs tors. theta energy: -224.399
Dist. restrs. and SS energy: 0.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -2427.375659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.375659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.740449 (E_RNA)
where:
Base-Base interactions energy: -1636.822
where: short stacking energy: -687.789
Base-Backbone interact. energy: -0.504
local terms energy: -791.414612
where:
bonds (distance) C4'-P energy: -156.536
bonds (distance) P-C4' energy: -163.560
flat angles C4'-P-C4' energy: -171.503
flat angles P-C4'-P energy: -114.942
tors. eta vs tors. theta energy: -184.873
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: 6, replica: 3
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -2292.905763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.905763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.670382 (E_RNA)
where:
Base-Base interactions energy: -1535.495
where: short stacking energy: -666.251
Base-Backbone interact. energy: 1.163
local terms energy: -761.337733
where:
bonds (distance) C4'-P energy: -147.316
bonds (distance) P-C4' energy: -149.948
flat angles C4'-P-C4' energy: -183.204
flat angles P-C4'-P energy: -97.229
tors. eta vs tors. theta energy: -183.642
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: 7, replica: 5
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -2134.604070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.604070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.020344 (E_RNA)
where:
Base-Base interactions energy: -1432.475
where: short stacking energy: -614.280
Base-Backbone interact. energy: -0.750
local terms energy: -703.795536
where:
bonds (distance) C4'-P energy: -125.639
bonds (distance) P-C4' energy: -151.195
flat angles C4'-P-C4' energy: -147.383
flat angles P-C4'-P energy: -101.929
tors. eta vs tors. theta energy: -177.649
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: 8, replica: 4
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -2028.489917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.489917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.432658 (E_RNA)
where:
Base-Base interactions energy: -1360.101
where: short stacking energy: -582.659
Base-Backbone interact. energy: -0.253
local terms energy: -670.078725
where:
bonds (distance) C4'-P energy: -127.757
bonds (distance) P-C4' energy: -153.723
flat angles C4'-P-C4' energy: -145.427
flat angles P-C4'-P energy: -82.745
tors. eta vs tors. theta energy: -160.426
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: 9, replica: 8
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -1883.576361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.576361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.174013 (E_RNA)
where:
Base-Base interactions energy: -1241.666
where: short stacking energy: -505.529
Base-Backbone interact. energy: -1.313
local terms energy: -645.194764
where:
bonds (distance) C4'-P energy: -128.149
bonds (distance) P-C4' energy: -134.047
flat angles C4'-P-C4' energy: -143.441
flat angles P-C4'-P energy: -105.283
tors. eta vs tors. theta energy: -134.275
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: 10, replica: 6
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -1857.494431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.494431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.059661 (E_RNA)
where:
Base-Base interactions energy: -1281.723
where: short stacking energy: -520.465
Base-Backbone interact. energy: 1.340
local terms energy: -579.676371
where:
bonds (distance) C4'-P energy: -108.329
bonds (distance) P-C4' energy: -127.204
flat angles C4'-P-C4' energy: -128.476
flat angles P-C4'-P energy: -94.189
tors. eta vs tors. theta energy: -121.478
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: 1, replica: 7
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -2926.654464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2926.654464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2928.830649 (E_RNA)
where:
Base-Base interactions energy: -2067.061
where: short stacking energy: -851.643
Base-Backbone interact. energy: -3.281
local terms energy: -858.488578
where:
bonds (distance) C4'-P energy: -168.720
bonds (distance) P-C4' energy: -157.114
flat angles C4'-P-C4' energy: -188.058
flat angles P-C4'-P energy: -105.594
tors. eta vs tors. theta energy: -239.003
Dist. restrs. and SS energy: 2.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -2798.096372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.096372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.531033 (E_RNA)
where:
Base-Base interactions energy: -1922.763
where: short stacking energy: -841.550
Base-Backbone interact. energy: -4.359
local terms energy: -873.408774
where:
bonds (distance) C4'-P energy: -162.853
bonds (distance) P-C4' energy: -161.256
flat angles C4'-P-C4' energy: -188.632
flat angles P-C4'-P energy: -113.267
tors. eta vs tors. theta energy: -247.401
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: 3, replica: 2
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -2713.977639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.977639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.009785 (E_RNA)
where:
Base-Base interactions energy: -1901.796
where: short stacking energy: -771.569
Base-Backbone interact. energy: 0.324
local terms energy: -814.538491
where:
bonds (distance) C4'-P energy: -150.994
bonds (distance) P-C4' energy: -164.415
flat angles C4'-P-C4' energy: -152.355
flat angles P-C4'-P energy: -122.635
tors. eta vs tors. theta energy: -224.139
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: 10
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -2619.470688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.470688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.130313 (E_RNA)
where:
Base-Base interactions energy: -1801.314
where: short stacking energy: -753.548
Base-Backbone interact. energy: 3.552
local terms energy: -823.368130
where:
bonds (distance) C4'-P energy: -164.665
bonds (distance) P-C4' energy: -160.724
flat angles C4'-P-C4' energy: -167.562
flat angles P-C4'-P energy: -105.197
tors. eta vs tors. theta energy: -225.220
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: 5, replica: 1
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -2426.262653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.262653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.461166 (E_RNA)
where:
Base-Base interactions energy: -1671.750
where: short stacking energy: -720.873
Base-Backbone interact. energy: -1.635
local terms energy: -756.076351
where:
bonds (distance) C4'-P energy: -143.692
bonds (distance) P-C4' energy: -149.421
flat angles C4'-P-C4' energy: -162.499
flat angles P-C4'-P energy: -96.197
tors. eta vs tors. theta energy: -204.267
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: 6, replica: 3
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -2343.301890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.301890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.911355 (E_RNA)
where:
Base-Base interactions energy: -1606.812
where: short stacking energy: -684.679
Base-Backbone interact. energy: -2.410
local terms energy: -735.689725
where:
bonds (distance) C4'-P energy: -144.100
bonds (distance) P-C4' energy: -144.436
flat angles C4'-P-C4' energy: -159.450
flat angles P-C4'-P energy: -105.816
tors. eta vs tors. theta energy: -181.888
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: 5
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -2144.230189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.230189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.451724 (E_RNA)
where:
Base-Base interactions energy: -1476.746
where: short stacking energy: -610.731
Base-Backbone interact. energy: 6.985
local terms energy: -675.691143
where:
bonds (distance) C4'-P energy: -134.218
bonds (distance) P-C4' energy: -128.736
flat angles C4'-P-C4' energy: -139.741
flat angles P-C4'-P energy: -106.982
tors. eta vs tors. theta energy: -166.015
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: 8, replica: 4
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -2005.830118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.830118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.064832 (E_RNA)
where:
Base-Base interactions energy: -1373.272
where: short stacking energy: -582.511
Base-Backbone interact. energy: 0.060
local terms energy: -635.852738
where:
bonds (distance) C4'-P energy: -119.339
bonds (distance) P-C4' energy: -143.380
flat angles C4'-P-C4' energy: -137.917
flat angles P-C4'-P energy: -92.645
tors. eta vs tors. theta energy: -142.572
Dist. restrs. and SS energy: 3.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -1852.591196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.591196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.205608 (E_RNA)
where:
Base-Base interactions energy: -1240.542
where: short stacking energy: -527.613
Base-Backbone interact. energy: -1.070
local terms energy: -614.594198
where:
bonds (distance) C4'-P energy: -132.711
bonds (distance) P-C4' energy: -154.014
flat angles C4'-P-C4' energy: -125.883
flat angles P-C4'-P energy: -87.272
tors. eta vs tors. theta energy: -114.715
Dist. restrs. and SS energy: 3.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -1909.737954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.737954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.856089 (E_RNA)
where:
Base-Base interactions energy: -1289.866
where: short stacking energy: -550.594
Base-Backbone interact. energy: -3.085
local terms energy: -621.905298
where:
bonds (distance) C4'-P energy: -106.522
bonds (distance) P-C4' energy: -125.131
flat angles C4'-P-C4' energy: -150.526
flat angles P-C4'-P energy: -83.754
tors. eta vs tors. theta energy: -155.973
Dist. restrs. and SS energy: 5.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -2915.394216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2915.394216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2916.655871 (E_RNA)
where:
Base-Base interactions energy: -2030.327
where: short stacking energy: -849.070
Base-Backbone interact. energy: -0.047
local terms energy: -886.281681
where:
bonds (distance) C4'-P energy: -173.674
bonds (distance) P-C4' energy: -151.550
flat angles C4'-P-C4' energy: -180.879
flat angles P-C4'-P energy: -131.155
tors. eta vs tors. theta energy: -249.024
Dist. restrs. and SS energy: 1.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -2799.639035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.639035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.180883 (E_RNA)
where:
Base-Base interactions energy: -1940.116
where: short stacking energy: -821.538
Base-Backbone interact. energy: -0.505
local terms energy: -862.560183
where:
bonds (distance) C4'-P energy: -159.380
bonds (distance) P-C4' energy: -162.004
flat angles C4'-P-C4' energy: -180.255
flat angles P-C4'-P energy: -118.862
tors. eta vs tors. theta energy: -242.059
Dist. restrs. and SS energy: 3.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -2694.491803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.491803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.210602 (E_RNA)
where:
Base-Base interactions energy: -1846.567
where: short stacking energy: -780.247
Base-Backbone interact. energy: -2.191
local terms energy: -848.452865
where:
bonds (distance) C4'-P energy: -147.274
bonds (distance) P-C4' energy: -161.227
flat angles C4'-P-C4' energy: -178.172
flat angles P-C4'-P energy: -125.797
tors. eta vs tors. theta energy: -235.982
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: 4, replica: 10
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -2594.068631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.068631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.480826 (E_RNA)
where:
Base-Base interactions energy: -1794.387
where: short stacking energy: -750.563
Base-Backbone interact. energy: 1.754
local terms energy: -803.847578
where:
bonds (distance) C4'-P energy: -143.425
bonds (distance) P-C4' energy: -153.907
flat angles C4'-P-C4' energy: -160.149
flat angles P-C4'-P energy: -106.722
tors. eta vs tors. theta energy: -239.645
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: 5, replica: 1
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -2426.961340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.961340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.220064 (E_RNA)
where:
Base-Base interactions energy: -1645.173
where: short stacking energy: -690.331
Base-Backbone interact. energy: -0.897
local terms energy: -784.150017
where:
bonds (distance) C4'-P energy: -128.069
bonds (distance) P-C4' energy: -151.128
flat angles C4'-P-C4' energy: -175.985
flat angles P-C4'-P energy: -118.892
tors. eta vs tors. theta energy: -210.075
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: 6, replica: 3
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -2353.615457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.615457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.428362 (E_RNA)
where:
Base-Base interactions energy: -1601.320
where: short stacking energy: -680.034
Base-Backbone interact. energy: -3.489
local terms energy: -751.619268
where:
bonds (distance) C4'-P energy: -135.563
bonds (distance) P-C4' energy: -152.246
flat angles C4'-P-C4' energy: -168.690
flat angles P-C4'-P energy: -104.362
tors. eta vs tors. theta energy: -190.758
Dist. restrs. and SS energy: 2.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -2088.844982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.844982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.530088 (E_RNA)
where:
Base-Base interactions energy: -1409.905
where: short stacking energy: -607.500
Base-Backbone interact. energy: 6.505
local terms energy: -689.129910
where:
bonds (distance) C4'-P energy: -132.612
bonds (distance) P-C4' energy: -126.015
flat angles C4'-P-C4' energy: -153.102
flat angles P-C4'-P energy: -106.291
tors. eta vs tors. theta energy: -171.109
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: 8, replica: 5
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -1945.830497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.830497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.805301 (E_RNA)
where:
Base-Base interactions energy: -1339.137
where: short stacking energy: -567.930
Base-Backbone interact. energy: -1.556
local terms energy: -609.111896
where:
bonds (distance) C4'-P energy: -118.595
bonds (distance) P-C4' energy: -115.943
flat angles C4'-P-C4' energy: -152.305
flat angles P-C4'-P energy: -74.388
tors. eta vs tors. theta energy: -147.882
Dist. restrs. and SS energy: 3.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -1855.870964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.870964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.951470 (E_RNA)
where:
Base-Base interactions energy: -1256.177
where: short stacking energy: -517.746
Base-Backbone interact. energy: 6.971
local terms energy: -611.745724
where:
bonds (distance) C4'-P energy: -127.378
bonds (distance) P-C4' energy: -143.744
flat angles C4'-P-C4' energy: -136.951
flat angles P-C4'-P energy: -86.129
tors. eta vs tors. theta energy: -117.543
Dist. restrs. and SS energy: 5.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -1875.210325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.210325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.352289 (E_RNA)
where:
Base-Base interactions energy: -1309.061
where: short stacking energy: -542.850
Base-Backbone interact. energy: -1.476
local terms energy: -569.815255
where:
bonds (distance) C4'-P energy: -109.513
bonds (distance) P-C4' energy: -115.603
flat angles C4'-P-C4' energy: -144.839
flat angles P-C4'-P energy: -81.613
tors. eta vs tors. theta energy: -118.248
Dist. restrs. and SS energy: 5.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -2912.667866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2912.667866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2913.606261 (E_RNA)
where:
Base-Base interactions energy: -2042.586
where: short stacking energy: -831.687
Base-Backbone interact. energy: 4.527
local terms energy: -875.547660
where:
bonds (distance) C4'-P energy: -161.069
bonds (distance) P-C4' energy: -156.433
flat angles C4'-P-C4' energy: -177.473
flat angles P-C4'-P energy: -129.064
tors. eta vs tors. theta energy: -251.508
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: 2, replica: 9
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -2791.624899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.624899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.160642 (E_RNA)
where:
Base-Base interactions energy: -1917.371
where: short stacking energy: -813.624
Base-Backbone interact. energy: -1.913
local terms energy: -875.877203
where:
bonds (distance) C4'-P energy: -158.158
bonds (distance) P-C4' energy: -161.186
flat angles C4'-P-C4' energy: -195.397
flat angles P-C4'-P energy: -112.784
tors. eta vs tors. theta energy: -248.352
Dist. restrs. and SS energy: 3.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -2684.042207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.042207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.113530 (E_RNA)
where:
Base-Base interactions energy: -1856.293
where: short stacking energy: -789.886
Base-Backbone interact. energy: -2.430
local terms energy: -826.390906
where:
bonds (distance) C4'-P energy: -134.066
bonds (distance) P-C4' energy: -151.706
flat angles C4'-P-C4' energy: -179.775
flat angles P-C4'-P energy: -122.712
tors. eta vs tors. theta energy: -238.131
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: 4, replica: 10
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -2648.481540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.481540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.712535 (E_RNA)
where:
Base-Base interactions energy: -1835.612
where: short stacking energy: -797.239
Base-Backbone interact. energy: -4.532
local terms energy: -811.568023
where:
bonds (distance) C4'-P energy: -144.002
bonds (distance) P-C4' energy: -156.780
flat angles C4'-P-C4' energy: -177.741
flat angles P-C4'-P energy: -97.054
tors. eta vs tors. theta energy: -235.991
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: 5, replica: 1
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -2457.012539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.012539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.829601 (E_RNA)
where:
Base-Base interactions energy: -1685.337
where: short stacking energy: -709.783
Base-Backbone interact. energy: -3.866
local terms energy: -769.626262
where:
bonds (distance) C4'-P energy: -156.335
bonds (distance) P-C4' energy: -143.785
flat angles C4'-P-C4' energy: -165.483
flat angles P-C4'-P energy: -100.231
tors. eta vs tors. theta energy: -203.791
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: 6, replica: 3
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -2362.062892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.062892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.691509 (E_RNA)
where:
Base-Base interactions energy: -1628.742
where: short stacking energy: -696.664
Base-Backbone interact. energy: 5.841
local terms energy: -741.790690
where:
bonds (distance) C4'-P energy: -136.271
bonds (distance) P-C4' energy: -146.176
flat angles C4'-P-C4' energy: -165.284
flat angles P-C4'-P energy: -107.678
tors. eta vs tors. theta energy: -186.383
Dist. restrs. and SS energy: 2.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -2066.795557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.795557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.292234 (E_RNA)
where:
Base-Base interactions energy: -1383.953
where: short stacking energy: -592.343
Base-Backbone interact. energy: -1.079
local terms energy: -684.260482
where:
bonds (distance) C4'-P energy: -155.099
bonds (distance) P-C4' energy: -149.310
flat angles C4'-P-C4' energy: -148.343
flat angles P-C4'-P energy: -95.573
tors. eta vs tors. theta energy: -135.935
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: 8, replica: 5
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -2005.982292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.982292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.833354 (E_RNA)
where:
Base-Base interactions energy: -1376.124
where: short stacking energy: -554.546
Base-Backbone interact. energy: 8.246
local terms energy: -639.954865
where:
bonds (distance) C4'-P energy: -132.682
bonds (distance) P-C4' energy: -118.675
flat angles C4'-P-C4' energy: -138.954
flat angles P-C4'-P energy: -102.122
tors. eta vs tors. theta energy: -147.522
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: 8
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -1856.603189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.603189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.939284 (E_RNA)
where:
Base-Base interactions energy: -1272.522
where: short stacking energy: -524.298
Base-Backbone interact. energy: 3.224
local terms energy: -596.641664
where:
bonds (distance) C4'-P energy: -116.612
bonds (distance) P-C4' energy: -108.782
flat angles C4'-P-C4' energy: -147.777
flat angles P-C4'-P energy: -95.700
tors. eta vs tors. theta energy: -127.771
Dist. restrs. and SS energy: 9.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -1789.006016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.006016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.504535 (E_RNA)
where:
Base-Base interactions energy: -1195.869
where: short stacking energy: -490.088
Base-Backbone interact. energy: 0.596
local terms energy: -598.231650
where:
bonds (distance) C4'-P energy: -129.554
bonds (distance) P-C4' energy: -139.196
flat angles C4'-P-C4' energy: -132.772
flat angles P-C4'-P energy: -89.383
tors. eta vs tors. theta energy: -107.327
Dist. restrs. and SS energy: 4.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -2914.700355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2914.700355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2916.493941 (E_RNA)
where:
Base-Base interactions energy: -1990.945
where: short stacking energy: -832.480
Base-Backbone interact. energy: 1.445
local terms energy: -926.993850
where:
bonds (distance) C4'-P energy: -173.865
bonds (distance) P-C4' energy: -169.452
flat angles C4'-P-C4' energy: -195.899
flat angles P-C4'-P energy: -133.139
tors. eta vs tors. theta energy: -254.638
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: 2, replica: 9
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -2817.203541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.203541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.177267 (E_RNA)
where:
Base-Base interactions energy: -1947.451
where: short stacking energy: -831.156
Base-Backbone interact. energy: -4.321
local terms energy: -866.405599
where:
bonds (distance) C4'-P energy: -147.716
bonds (distance) P-C4' energy: -168.835
flat angles C4'-P-C4' energy: -188.070
flat angles P-C4'-P energy: -119.592
tors. eta vs tors. theta energy: -242.192
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: 2
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -2715.600770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.600770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.258973 (E_RNA)
where:
Base-Base interactions energy: -1888.951
where: short stacking energy: -787.828
Base-Backbone interact. energy: -0.408
local terms energy: -827.900388
where:
bonds (distance) C4'-P energy: -152.114
bonds (distance) P-C4' energy: -152.129
flat angles C4'-P-C4' energy: -172.673
flat angles P-C4'-P energy: -118.386
tors. eta vs tors. theta energy: -232.598
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: 4, replica: 10
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -2647.965231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.965231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.351486 (E_RNA)
where:
Base-Base interactions energy: -1828.580
where: short stacking energy: -759.414
Base-Backbone interact. energy: -5.788
local terms energy: -815.983736
where:
bonds (distance) C4'-P energy: -144.409
bonds (distance) P-C4' energy: -142.670
flat angles C4'-P-C4' energy: -172.390
flat angles P-C4'-P energy: -119.117
tors. eta vs tors. theta energy: -237.398
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: 1
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -2453.559450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.559450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.761812 (E_RNA)
where:
Base-Base interactions energy: -1690.038
where: short stacking energy: -725.636
Base-Backbone interact. energy: -2.414
local terms energy: -762.309438
where:
bonds (distance) C4'-P energy: -140.196
bonds (distance) P-C4' energy: -140.476
flat angles C4'-P-C4' energy: -167.798
flat angles P-C4'-P energy: -114.413
tors. eta vs tors. theta energy: -199.427
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: 6, replica: 3
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -2338.603057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.603057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.859296 (E_RNA)
where:
Base-Base interactions energy: -1600.378
where: short stacking energy: -690.124
Base-Backbone interact. energy: -2.869
local terms energy: -737.612766
where:
bonds (distance) C4'-P energy: -137.573
bonds (distance) P-C4' energy: -161.323
flat angles C4'-P-C4' energy: -160.686
flat angles P-C4'-P energy: -88.359
tors. eta vs tors. theta energy: -189.672
Dist. restrs. and SS energy: 2.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -2036.547586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.547586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.624974 (E_RNA)
where:
Base-Base interactions energy: -1393.159
where: short stacking energy: -583.072
Base-Backbone interact. energy: 1.623
local terms energy: -647.088973
where:
bonds (distance) C4'-P energy: -125.297
bonds (distance) P-C4' energy: -136.373
flat angles C4'-P-C4' energy: -133.189
flat angles P-C4'-P energy: -97.340
tors. eta vs tors. theta energy: -154.891
Dist. restrs. and SS energy: 2.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -2033.147784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.147784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.505618 (E_RNA)
where:
Base-Base interactions energy: -1396.875
where: short stacking energy: -593.159
Base-Backbone interact. energy: -1.887
local terms energy: -637.743611
where:
bonds (distance) C4'-P energy: -120.717
bonds (distance) P-C4' energy: -133.866
flat angles C4'-P-C4' energy: -135.985
flat angles P-C4'-P energy: -100.848
tors. eta vs tors. theta energy: -146.329
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: 9, replica: 6
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -1920.251998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.251998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.848276 (E_RNA)
where:
Base-Base interactions energy: -1285.966
where: short stacking energy: -557.247
Base-Backbone interact. energy: -2.237
local terms energy: -635.645338
where:
bonds (distance) C4'-P energy: -130.585
bonds (distance) P-C4' energy: -133.936
flat angles C4'-P-C4' energy: -146.882
flat angles P-C4'-P energy: -91.108
tors. eta vs tors. theta energy: -133.134
Dist. restrs. and SS energy: 3.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -1780.148310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.148310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.067300 (E_RNA)
where:
Base-Base interactions energy: -1204.271
where: short stacking energy: -483.079
Base-Backbone interact. energy: -1.385
local terms energy: -584.411120
where:
bonds (distance) C4'-P energy: -128.217
bonds (distance) P-C4' energy: -128.120
flat angles C4'-P-C4' energy: -119.710
flat angles P-C4'-P energy: -88.667
tors. eta vs tors. theta energy: -119.698
Dist. restrs. and SS energy: 9.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -2878.164374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2878.164374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2880.662985 (E_RNA)
where:
Base-Base interactions energy: -2017.117
where: short stacking energy: -837.233
Base-Backbone interact. energy: -0.330
local terms energy: -863.216048
where:
bonds (distance) C4'-P energy: -160.112
bonds (distance) P-C4' energy: -150.721
flat angles C4'-P-C4' energy: -189.795
flat angles P-C4'-P energy: -111.129
tors. eta vs tors. theta energy: -251.459
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: 9
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -2787.801247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.801247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.304449 (E_RNA)
where:
Base-Base interactions energy: -1927.218
where: short stacking energy: -832.701
Base-Backbone interact. energy: 1.814
local terms energy: -863.901223
where:
bonds (distance) C4'-P energy: -165.595
bonds (distance) P-C4' energy: -156.812
flat angles C4'-P-C4' energy: -170.470
flat angles P-C4'-P energy: -125.859
tors. eta vs tors. theta energy: -245.165
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: 3, replica: 2
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -2743.073848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.073848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.815634 (E_RNA)
where:
Base-Base interactions energy: -1904.554
where: short stacking energy: -826.285
Base-Backbone interact. energy: 2.340
local terms energy: -842.602066
where:
bonds (distance) C4'-P energy: -141.885
bonds (distance) P-C4' energy: -152.981
flat angles C4'-P-C4' energy: -184.089
flat angles P-C4'-P energy: -126.702
tors. eta vs tors. theta energy: -236.946
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: 10
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -2623.038307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.038307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.996288 (E_RNA)
where:
Base-Base interactions energy: -1824.309
where: short stacking energy: -756.945
Base-Backbone interact. energy: -3.549
local terms energy: -797.138044
where:
bonds (distance) C4'-P energy: -145.716
bonds (distance) P-C4' energy: -134.364
flat angles C4'-P-C4' energy: -185.666
flat angles P-C4'-P energy: -110.138
tors. eta vs tors. theta energy: -221.254
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: 5, replica: 1
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -2476.740121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.740121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.245014 (E_RNA)
where:
Base-Base interactions energy: -1700.851
where: short stacking energy: -716.872
Base-Backbone interact. energy: -2.196
local terms energy: -775.198084
where:
bonds (distance) C4'-P energy: -146.924
bonds (distance) P-C4' energy: -151.822
flat angles C4'-P-C4' energy: -161.993
flat angles P-C4'-P energy: -112.370
tors. eta vs tors. theta energy: -202.089
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: 6, replica: 3
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -2342.195402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.195402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.899217 (E_RNA)
where:
Base-Base interactions energy: -1569.739
where: short stacking energy: -679.107
Base-Backbone interact. energy: 5.137
local terms energy: -779.297033
where:
bonds (distance) C4'-P energy: -140.470
bonds (distance) P-C4' energy: -149.090
flat angles C4'-P-C4' energy: -163.071
flat angles P-C4'-P energy: -123.902
tors. eta vs tors. theta energy: -202.764
Dist. restrs. and SS energy: 1.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -2083.627030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.627030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.390029 (E_RNA)
where:
Base-Base interactions energy: -1395.688
where: short stacking energy: -593.775
Base-Backbone interact. energy: -1.172
local terms energy: -688.530178
where:
bonds (distance) C4'-P energy: -144.332
bonds (distance) P-C4' energy: -142.414
flat angles C4'-P-C4' energy: -168.190
flat angles P-C4'-P energy: -88.692
tors. eta vs tors. theta energy: -144.902
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: 8, replica: 6
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -1989.815490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.815490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.418478 (E_RNA)
where:
Base-Base interactions energy: -1354.033
where: short stacking energy: -564.923
Base-Backbone interact. energy: 0.037
local terms energy: -637.422237
where:
bonds (distance) C4'-P energy: -119.994
bonds (distance) P-C4' energy: -144.334
flat angles C4'-P-C4' energy: -148.383
flat angles P-C4'-P energy: -85.467
tors. eta vs tors. theta energy: -139.245
Dist. restrs. and SS energy: 1.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -1969.778912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.778912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.572449 (E_RNA)
where:
Base-Base interactions energy: -1357.600
where: short stacking energy: -566.896
Base-Backbone interact. energy: 1.542
local terms energy: -616.514072
where:
bonds (distance) C4'-P energy: -111.031
bonds (distance) P-C4' energy: -130.849
flat angles C4'-P-C4' energy: -140.517
flat angles P-C4'-P energy: -85.683
tors. eta vs tors. theta energy: -148.435
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: 10, replica: 8
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -1797.755117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.755117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.339051 (E_RNA)
where:
Base-Base interactions energy: -1261.593
where: short stacking energy: -527.225
Base-Backbone interact. energy: -2.681
local terms energy: -537.065167
where:
bonds (distance) C4'-P energy: -86.488
bonds (distance) P-C4' energy: -116.326
flat angles C4'-P-C4' energy: -121.683
flat angles P-C4'-P energy: -88.578
tors. eta vs tors. theta energy: -123.990
Dist. restrs. and SS energy: 3.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -2845.769384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2845.769384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2846.517009 (E_RNA)
where:
Base-Base interactions energy: -1946.624
where: short stacking energy: -824.228
Base-Backbone interact. energy: -3.069
local terms energy: -896.824717
where:
bonds (distance) C4'-P energy: -155.992
bonds (distance) P-C4' energy: -171.167
flat angles C4'-P-C4' energy: -192.959
flat angles P-C4'-P energy: -128.800
tors. eta vs tors. theta energy: -247.907
Dist. restrs. and SS energy: 0.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -2818.158009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.158009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.031352 (E_RNA)
where:
Base-Base interactions energy: -1950.773
where: short stacking energy: -824.565
Base-Backbone interact. energy: 0.263
local terms energy: -869.521790
where:
bonds (distance) C4'-P energy: -154.959
bonds (distance) P-C4' energy: -170.201
flat angles C4'-P-C4' energy: -181.811
flat angles P-C4'-P energy: -124.422
tors. eta vs tors. theta energy: -238.128
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: 2
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -2728.670455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.670455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.541754 (E_RNA)
where:
Base-Base interactions energy: -1918.178
where: short stacking energy: -812.996
Base-Backbone interact. energy: -1.790
local terms energy: -810.573896
where:
bonds (distance) C4'-P energy: -137.428
bonds (distance) P-C4' energy: -145.582
flat angles C4'-P-C4' energy: -174.172
flat angles P-C4'-P energy: -114.283
tors. eta vs tors. theta energy: -239.109
Dist. restrs. and SS energy: 1.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -2623.363505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.363505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.571137 (E_RNA)
where:
Base-Base interactions energy: -1804.035
where: short stacking energy: -739.942
Base-Backbone interact. energy: 0.896
local terms energy: -821.431805
where:
bonds (distance) C4'-P energy: -161.134
bonds (distance) P-C4' energy: -147.600
flat angles C4'-P-C4' energy: -171.875
flat angles P-C4'-P energy: -124.063
tors. eta vs tors. theta energy: -216.760
Dist. restrs. and SS energy: 1.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -2506.081126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.081126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.561751 (E_RNA)
where:
Base-Base interactions energy: -1738.785
where: short stacking energy: -754.979
Base-Backbone interact. energy: 1.200
local terms energy: -772.976213
where:
bonds (distance) C4'-P energy: -138.072
bonds (distance) P-C4' energy: -146.863
flat angles C4'-P-C4' energy: -164.572
flat angles P-C4'-P energy: -109.143
tors. eta vs tors. theta energy: -214.327
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: 6, replica: 3
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -2310.810373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.810373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.993986 (E_RNA)
where:
Base-Base interactions energy: -1547.885
where: short stacking energy: -650.429
Base-Backbone interact. energy: 0.043
local terms energy: -765.152330
where:
bonds (distance) C4'-P energy: -146.312
bonds (distance) P-C4' energy: -164.100
flat angles C4'-P-C4' energy: -164.821
flat angles P-C4'-P energy: -98.144
tors. eta vs tors. theta energy: -191.776
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: 342
Temperature: 1.200000
Total energy: -2050.574642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.574642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.404339 (E_RNA)
where:
Base-Base interactions energy: -1367.059
where: short stacking energy: -564.320
Base-Backbone interact. energy: 1.853
local terms energy: -688.198290
where:
bonds (distance) C4'-P energy: -139.635
bonds (distance) P-C4' energy: -125.735
flat angles C4'-P-C4' energy: -154.469
flat angles P-C4'-P energy: -102.490
tors. eta vs tors. theta energy: -165.870
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: 8, replica: 6
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -1962.199071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.199071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.226911 (E_RNA)
where:
Base-Base interactions energy: -1328.391
where: short stacking energy: -554.432
Base-Backbone interact. energy: 3.673
local terms energy: -640.508481
where:
bonds (distance) C4'-P energy: -114.694
bonds (distance) P-C4' energy: -152.887
flat angles C4'-P-C4' energy: -143.531
flat angles P-C4'-P energy: -95.810
tors. eta vs tors. theta energy: -133.588
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: 9, replica: 4
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -1973.906679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.906679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.749213 (E_RNA)
where:
Base-Base interactions energy: -1319.257
where: short stacking energy: -541.939
Base-Backbone interact. energy: -2.217
local terms energy: -655.274499
where:
bonds (distance) C4'-P energy: -145.834
bonds (distance) P-C4' energy: -143.740
flat angles C4'-P-C4' energy: -129.778
flat angles P-C4'-P energy: -100.968
tors. eta vs tors. theta energy: -134.954
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: 342
Temperature: 1.350000
Total energy: -1834.298891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.298891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.628025 (E_RNA)
where:
Base-Base interactions energy: -1264.500
where: short stacking energy: -515.672
Base-Backbone interact. energy: -2.517
local terms energy: -572.611564
where:
bonds (distance) C4'-P energy: -111.278
bonds (distance) P-C4' energy: -121.600
flat angles C4'-P-C4' energy: -119.880
flat angles P-C4'-P energy: -93.925
tors. eta vs tors. theta energy: -125.928
Dist. restrs. and SS energy: 5.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -2885.981388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2885.981388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2887.206211 (E_RNA)
where:
Base-Base interactions energy: -1979.196
where: short stacking energy: -843.171
Base-Backbone interact. energy: -2.672
local terms energy: -905.338098
where:
bonds (distance) C4'-P energy: -168.985
bonds (distance) P-C4' energy: -163.062
flat angles C4'-P-C4' energy: -196.047
flat angles P-C4'-P energy: -116.099
tors. eta vs tors. theta energy: -261.145
Dist. restrs. and SS energy: 1.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -2853.158735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2853.158735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2855.420142 (E_RNA)
where:
Base-Base interactions energy: -2010.171
where: short stacking energy: -812.482
Base-Backbone interact. energy: -0.950
local terms energy: -844.298990
where:
bonds (distance) C4'-P energy: -152.015
bonds (distance) P-C4' energy: -152.109
flat angles C4'-P-C4' energy: -179.746
flat angles P-C4'-P energy: -120.453
tors. eta vs tors. theta energy: -239.976
Dist. restrs. and SS energy: 2.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -2720.556555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.556555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.205710 (E_RNA)
where:
Base-Base interactions energy: -1879.622
where: short stacking energy: -788.953
Base-Backbone interact. energy: 0.147
local terms energy: -843.730267
where:
bonds (distance) C4'-P energy: -164.376
bonds (distance) P-C4' energy: -160.837
flat angles C4'-P-C4' energy: -165.633
flat angles P-C4'-P energy: -126.714
tors. eta vs tors. theta energy: -226.171
Dist. restrs. and SS energy: 2.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -2594.189954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.189954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.815799 (E_RNA)
where:
Base-Base interactions energy: -1779.742
where: short stacking energy: -779.902
Base-Backbone interact. energy: -2.521
local terms energy: -813.552469
where:
bonds (distance) C4'-P energy: -136.175
bonds (distance) P-C4' energy: -165.754
flat angles C4'-P-C4' energy: -168.380
flat angles P-C4'-P energy: -118.871
tors. eta vs tors. theta energy: -224.372
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: 5, replica: 1
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -2494.868594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.868594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.836740 (E_RNA)
where:
Base-Base interactions energy: -1730.909
where: short stacking energy: -703.843
Base-Backbone interact. energy: 9.470
local terms energy: -774.397922
where:
bonds (distance) C4'-P energy: -140.830
bonds (distance) P-C4' energy: -137.112
flat angles C4'-P-C4' energy: -165.581
flat angles P-C4'-P energy: -122.734
tors. eta vs tors. theta energy: -208.140
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: 6, replica: 3
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -2339.913870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.913870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.036222 (E_RNA)
where:
Base-Base interactions energy: -1625.188
where: short stacking energy: -698.862
Base-Backbone interact. energy: -2.466
local terms energy: -714.381539
where:
bonds (distance) C4'-P energy: -116.618
bonds (distance) P-C4' energy: -124.111
flat angles C4'-P-C4' energy: -170.616
flat angles P-C4'-P energy: -110.232
tors. eta vs tors. theta energy: -192.805
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: 7, replica: 5
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -2091.037198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.037198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.585252 (E_RNA)
where:
Base-Base interactions energy: -1388.740
where: short stacking energy: -595.096
Base-Backbone interact. energy: 3.029
local terms energy: -708.874168
where:
bonds (distance) C4'-P energy: -138.938
bonds (distance) P-C4' energy: -149.661
flat angles C4'-P-C4' energy: -155.998
flat angles P-C4'-P energy: -107.026
tors. eta vs tors. theta energy: -157.252
Dist. restrs. and SS energy: 3.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -2066.652666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.652666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.157200 (E_RNA)
where:
Base-Base interactions energy: -1384.334
where: short stacking energy: -577.708
Base-Backbone interact. energy: -3.202
local terms energy: -682.621714
where:
bonds (distance) C4'-P energy: -120.641
bonds (distance) P-C4' energy: -142.544
flat angles C4'-P-C4' energy: -149.255
flat angles P-C4'-P energy: -94.752
tors. eta vs tors. theta energy: -175.429
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: 9, replica: 6
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -1933.681755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.681755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.097358 (E_RNA)
where:
Base-Base interactions energy: -1322.193
where: short stacking energy: -577.129
Base-Backbone interact. energy: 1.403
local terms energy: -616.307319
where:
bonds (distance) C4'-P energy: -118.043
bonds (distance) P-C4' energy: -128.362
flat angles C4'-P-C4' energy: -142.489
flat angles P-C4'-P energy: -80.394
tors. eta vs tors. theta energy: -147.019
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: 10, replica: 8
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -1849.447431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.447431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.047820 (E_RNA)
where:
Base-Base interactions energy: -1267.244
where: short stacking energy: -538.308
Base-Backbone interact. energy: 8.189
local terms energy: -593.992860
where:
bonds (distance) C4'-P energy: -110.757
bonds (distance) P-C4' energy: -111.175
flat angles C4'-P-C4' energy: -148.810
flat angles P-C4'-P energy: -89.604
tors. eta vs tors. theta energy: -133.647
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: 1, replica: 9
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -2893.134538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2893.134538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2895.289779 (E_RNA)
where:
Base-Base interactions energy: -1962.738
where: short stacking energy: -858.647
Base-Backbone interact. energy: 0.665
local terms energy: -933.216387
where:
bonds (distance) C4'-P energy: -179.177
bonds (distance) P-C4' energy: -177.893
flat angles C4'-P-C4' energy: -187.016
flat angles P-C4'-P energy: -122.812
tors. eta vs tors. theta energy: -266.320
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: 2, replica: 7
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -2873.810772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2873.810772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2874.537942 (E_RNA)
where:
Base-Base interactions energy: -2012.169
where: short stacking energy: -809.259
Base-Backbone interact. energy: -3.535
local terms energy: -858.834112
where:
bonds (distance) C4'-P energy: -143.994
bonds (distance) P-C4' energy: -172.702
flat angles C4'-P-C4' energy: -185.191
flat angles P-C4'-P energy: -113.959
tors. eta vs tors. theta energy: -242.988
Dist. restrs. and SS energy: 0.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -2735.793669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.793669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.193563 (E_RNA)
where:
Base-Base interactions energy: -1887.635
where: short stacking energy: -804.038
Base-Backbone interact. energy: -2.554
local terms energy: -847.004848
where:
bonds (distance) C4'-P energy: -153.083
bonds (distance) P-C4' energy: -151.198
flat angles C4'-P-C4' energy: -182.575
flat angles P-C4'-P energy: -125.567
tors. eta vs tors. theta energy: -234.583
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: 10
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -2610.195702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.195702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.817978 (E_RNA)
where:
Base-Base interactions energy: -1820.137
where: short stacking energy: -761.078
Base-Backbone interact. energy: -0.648
local terms energy: -791.033226
where:
bonds (distance) C4'-P energy: -131.761
bonds (distance) P-C4' energy: -150.441
flat angles C4'-P-C4' energy: -172.758
flat angles P-C4'-P energy: -112.937
tors. eta vs tors. theta energy: -223.137
Dist. restrs. and SS energy: 1.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -2493.123669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.123669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.440196 (E_RNA)
where:
Base-Base interactions energy: -1719.299
where: short stacking energy: -717.794
Base-Backbone interact. energy: 2.093
local terms energy: -778.234280
where:
bonds (distance) C4'-P energy: -137.168
bonds (distance) P-C4' energy: -141.132
flat angles C4'-P-C4' energy: -164.421
flat angles P-C4'-P energy: -113.068
tors. eta vs tors. theta energy: -222.446
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: 6, replica: 3
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -2340.506307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.506307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.780352 (E_RNA)
where:
Base-Base interactions energy: -1593.586
where: short stacking energy: -676.422
Base-Backbone interact. energy: 1.906
local terms energy: -751.100716
where:
bonds (distance) C4'-P energy: -143.830
bonds (distance) P-C4' energy: -155.899
flat angles C4'-P-C4' energy: -162.461
flat angles P-C4'-P energy: -95.725
tors. eta vs tors. theta energy: -193.186
Dist. restrs. and SS energy: 2.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -2120.457513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.457513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.038763 (E_RNA)
where:
Base-Base interactions energy: -1387.171
where: short stacking energy: -607.862
Base-Backbone interact. energy: -1.632
local terms energy: -736.235665
where:
bonds (distance) C4'-P energy: -132.003
bonds (distance) P-C4' energy: -165.969
flat angles C4'-P-C4' energy: -164.669
flat angles P-C4'-P energy: -92.030
tors. eta vs tors. theta energy: -181.564
Dist. restrs. and SS energy: 4.581 (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: 4
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -2030.158055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.158055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.870897 (E_RNA)
where:
Base-Base interactions energy: -1371.562
where: short stacking energy: -586.903
Base-Backbone interact. energy: 2.039
local terms energy: -664.348371
where:
bonds (distance) C4'-P energy: -137.929
bonds (distance) P-C4' energy: -146.621
flat angles C4'-P-C4' energy: -154.719
flat angles P-C4'-P energy: -70.352
tors. eta vs tors. theta energy: -154.727
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: 9, replica: 6
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -1958.677036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.677036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.113801 (E_RNA)
where:
Base-Base interactions energy: -1325.369
where: short stacking energy: -550.398
Base-Backbone interact. energy: 2.237
local terms energy: -636.981699
where:
bonds (distance) C4'-P energy: -133.208
bonds (distance) P-C4' energy: -153.309
flat angles C4'-P-C4' energy: -149.345
flat angles P-C4'-P energy: -71.543
tors. eta vs tors. theta energy: -129.578
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: 10, replica: 8
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -1847.186882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.186882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.656283 (E_RNA)
where:
Base-Base interactions energy: -1251.493
where: short stacking energy: -513.272
Base-Backbone interact. energy: 9.160
local terms energy: -616.323622
where:
bonds (distance) C4'-P energy: -137.754
bonds (distance) P-C4' energy: -128.475
flat angles C4'-P-C4' energy: -157.048
flat angles P-C4'-P energy: -78.563
tors. eta vs tors. theta energy: -114.484
Dist. restrs. and SS energy: 11.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -2866.698895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2866.698895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2868.724166 (E_RNA)
where:
Base-Base interactions energy: -1951.415
where: short stacking energy: -836.988
Base-Backbone interact. energy: -1.230
local terms energy: -916.080106
where:
bonds (distance) C4'-P energy: -163.562
bonds (distance) P-C4' energy: -183.681
flat angles C4'-P-C4' energy: -181.692
flat angles P-C4'-P energy: -129.188
tors. eta vs tors. theta energy: -257.956
Dist. restrs. and SS energy: 2.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -2851.837809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2851.837809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2854.232647 (E_RNA)
where:
Base-Base interactions energy: -1990.325
where: short stacking energy: -793.893
Base-Backbone interact. energy: -3.881
local terms energy: -860.026141
where:
bonds (distance) C4'-P energy: -150.939
bonds (distance) P-C4' energy: -177.109
flat angles C4'-P-C4' energy: -179.097
flat angles P-C4'-P energy: -123.114
tors. eta vs tors. theta energy: -229.766
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: 2
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -2733.764353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.764353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.028064 (E_RNA)
where:
Base-Base interactions energy: -1883.957
where: short stacking energy: -797.831
Base-Backbone interact. energy: 2.241
local terms energy: -854.312549
where:
bonds (distance) C4'-P energy: -148.442
bonds (distance) P-C4' energy: -155.283
flat angles C4'-P-C4' energy: -187.095
flat angles P-C4'-P energy: -127.783
tors. eta vs tors. theta energy: -235.711
Dist. restrs. and SS energy: 2.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -2672.385578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.385578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.109050 (E_RNA)
where:
Base-Base interactions energy: -1869.987
where: short stacking energy: -774.775
Base-Backbone interact. energy: -4.844
local terms energy: -798.278066
where:
bonds (distance) C4'-P energy: -143.834
bonds (distance) P-C4' energy: -128.567
flat angles C4'-P-C4' energy: -185.683
flat angles P-C4'-P energy: -117.305
tors. eta vs tors. theta energy: -222.889
Dist. restrs. and SS energy: 0.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -2438.161432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.161432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.375645 (E_RNA)
where:
Base-Base interactions energy: -1678.553
where: short stacking energy: -683.962
Base-Backbone interact. energy: 1.315
local terms energy: -763.137681
where:
bonds (distance) C4'-P energy: -143.528
bonds (distance) P-C4' energy: -147.374
flat angles C4'-P-C4' energy: -162.428
flat angles P-C4'-P energy: -116.324
tors. eta vs tors. theta energy: -193.484
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: 6, replica: 3
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -2341.728926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.728926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.344423 (E_RNA)
where:
Base-Base interactions energy: -1625.604
where: short stacking energy: -683.813
Base-Backbone interact. energy: -0.482
local terms energy: -717.258288
where:
bonds (distance) C4'-P energy: -139.868
bonds (distance) P-C4' energy: -133.874
flat angles C4'-P-C4' energy: -159.341
flat angles P-C4'-P energy: -89.490
tors. eta vs tors. theta energy: -194.686
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: 7, replica: 5
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -2099.418394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.418394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.003946 (E_RNA)
where:
Base-Base interactions energy: -1422.077
where: short stacking energy: -608.624
Base-Backbone interact. energy: -0.623
local terms energy: -679.304066
where:
bonds (distance) C4'-P energy: -141.426
bonds (distance) P-C4' energy: -157.436
flat angles C4'-P-C4' energy: -141.451
flat angles P-C4'-P energy: -84.668
tors. eta vs tors. theta energy: -154.324
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: 8, replica: 4
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -2026.986842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.986842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.413025 (E_RNA)
where:
Base-Base interactions energy: -1365.536
where: short stacking energy: -564.312
Base-Backbone interact. energy: 9.765
local terms energy: -673.642129
where:
bonds (distance) C4'-P energy: -135.393
bonds (distance) P-C4' energy: -132.981
flat angles C4'-P-C4' energy: -135.612
flat angles P-C4'-P energy: -107.341
tors. eta vs tors. theta energy: -162.315
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: 6
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -1974.049226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.049226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.658247 (E_RNA)
where:
Base-Base interactions energy: -1362.092
where: short stacking energy: -552.373
Base-Backbone interact. energy: 1.093
local terms energy: -616.659263
where:
bonds (distance) C4'-P energy: -130.403
bonds (distance) P-C4' energy: -131.609
flat angles C4'-P-C4' energy: -131.415
flat angles P-C4'-P energy: -87.443
tors. eta vs tors. theta energy: -135.788
Dist. restrs. and SS energy: 3.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -1874.618883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.618883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.750339 (E_RNA)
where:
Base-Base interactions energy: -1271.496
where: short stacking energy: -528.480
Base-Backbone interact. energy: 6.645
local terms energy: -612.900020
where:
bonds (distance) C4'-P energy: -125.349
bonds (distance) P-C4' energy: -109.186
flat angles C4'-P-C4' energy: -144.882
flat angles P-C4'-P energy: -97.710
tors. eta vs tors. theta energy: -135.773
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: 1, replica: 7
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -2940.715537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2940.715537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2942.311338 (E_RNA)
where:
Base-Base interactions energy: -2074.324
where: short stacking energy: -863.837
Base-Backbone interact. energy: -2.794
local terms energy: -865.193362
where:
bonds (distance) C4'-P energy: -159.633
bonds (distance) P-C4' energy: -155.444
flat angles C4'-P-C4' energy: -190.346
flat angles P-C4'-P energy: -129.434
tors. eta vs tors. theta energy: -230.337
Dist. restrs. and SS energy: 1.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -2818.643260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.643260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.308822 (E_RNA)
where:
Base-Base interactions energy: -1953.388
where: short stacking energy: -858.862
Base-Backbone interact. energy: -3.139
local terms energy: -863.781005
where:
bonds (distance) C4'-P energy: -145.828
bonds (distance) P-C4' energy: -157.282
flat angles C4'-P-C4' energy: -171.771
flat angles P-C4'-P energy: -129.274
tors. eta vs tors. theta energy: -259.626
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: 2
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -2745.985077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.985077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.278944 (E_RNA)
where:
Base-Base interactions energy: -1892.752
where: short stacking energy: -816.530
Base-Backbone interact. energy: -2.421
local terms energy: -854.105972
where:
bonds (distance) C4'-P energy: -159.447
bonds (distance) P-C4' energy: -161.972
flat angles C4'-P-C4' energy: -174.816
flat angles P-C4'-P energy: -112.231
tors. eta vs tors. theta energy: -245.639
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: 4, replica: 10
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -2671.044462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.044462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.390533 (E_RNA)
where:
Base-Base interactions energy: -1887.492
where: short stacking energy: -772.804
Base-Backbone interact. energy: -3.014
local terms energy: -781.884695
where:
bonds (distance) C4'-P energy: -133.051
bonds (distance) P-C4' energy: -133.392
flat angles C4'-P-C4' energy: -167.577
flat angles P-C4'-P energy: -115.932
tors. eta vs tors. theta energy: -231.933
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: 5, replica: 1
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -2429.515428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.515428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.089755 (E_RNA)
where:
Base-Base interactions energy: -1665.060
where: short stacking energy: -706.977
Base-Backbone interact. energy: 0.651
local terms energy: -766.680643
where:
bonds (distance) C4'-P energy: -141.175
bonds (distance) P-C4' energy: -144.657
flat angles C4'-P-C4' energy: -162.008
flat angles P-C4'-P energy: -116.439
tors. eta vs tors. theta energy: -202.401
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: 6, replica: 3
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -2320.428341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.428341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.698402 (E_RNA)
where:
Base-Base interactions energy: -1612.474
where: short stacking energy: -648.295
Base-Backbone interact. energy: 1.767
local terms energy: -711.991304
where:
bonds (distance) C4'-P energy: -136.686
bonds (distance) P-C4' energy: -130.747
flat angles C4'-P-C4' energy: -151.833
flat angles P-C4'-P energy: -112.922
tors. eta vs tors. theta energy: -179.804
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: 7, replica: 5
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -2076.256430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.256430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.045364 (E_RNA)
where:
Base-Base interactions energy: -1404.863
where: short stacking energy: -615.873
Base-Backbone interact. energy: 1.072
local terms energy: -673.254171
where:
bonds (distance) C4'-P energy: -116.778
bonds (distance) P-C4' energy: -136.569
flat angles C4'-P-C4' energy: -156.522
flat angles P-C4'-P energy: -96.092
tors. eta vs tors. theta energy: -167.294
Dist. restrs. and SS energy: 0.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -1974.966102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.966102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.772565 (E_RNA)
where:
Base-Base interactions energy: -1324.018
where: short stacking energy: -546.802
Base-Backbone interact. energy: 6.499
local terms energy: -660.252956
where:
bonds (distance) C4'-P energy: -124.293
bonds (distance) P-C4' energy: -149.576
flat angles C4'-P-C4' energy: -154.879
flat angles P-C4'-P energy: -88.597
tors. eta vs tors. theta energy: -142.908
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: 6
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -2002.038431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.038431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.194799 (E_RNA)
where:
Base-Base interactions energy: -1386.875
where: short stacking energy: -571.292
Base-Backbone interact. energy: 0.135
local terms energy: -621.455080
where:
bonds (distance) C4'-P energy: -108.146
bonds (distance) P-C4' energy: -134.795
flat angles C4'-P-C4' energy: -147.178
flat angles P-C4'-P energy: -90.281
tors. eta vs tors. theta energy: -141.055
Dist. restrs. and SS energy: 6.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -1871.402093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.402093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.217183 (E_RNA)
where:
Base-Base interactions energy: -1268.924
where: short stacking energy: -528.061
Base-Backbone interact. energy: -1.752
local terms energy: -606.541662
where:
bonds (distance) C4'-P energy: -97.720
bonds (distance) P-C4' energy: -114.836
flat angles C4'-P-C4' energy: -154.964
flat angles P-C4'-P energy: -95.782
tors. eta vs tors. theta energy: -143.240
Dist. restrs. and SS energy: 5.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -2950.957762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2950.957762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2952.430659 (E_RNA)
where:
Base-Base interactions energy: -2070.905
where: short stacking energy: -843.840
Base-Backbone interact. energy: -2.983
local terms energy: -878.542167
where:
bonds (distance) C4'-P energy: -160.921
bonds (distance) P-C4' energy: -164.783
flat angles C4'-P-C4' energy: -180.912
flat angles P-C4'-P energy: -127.857
tors. eta vs tors. theta energy: -244.069
Dist. restrs. and SS energy: 1.473 (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: 9
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -2820.529748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.529748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.001931 (E_RNA)
where:
Base-Base interactions energy: -1927.652
where: short stacking energy: -822.334
Base-Backbone interact. energy: -1.101
local terms energy: -893.249795
where:
bonds (distance) C4'-P energy: -172.476
bonds (distance) P-C4' energy: -156.110
flat angles C4'-P-C4' energy: -179.303
flat angles P-C4'-P energy: -129.359
tors. eta vs tors. theta energy: -256.002
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: 3, replica: 2
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -2761.741384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.741384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.585127 (E_RNA)
where:
Base-Base interactions energy: -1893.285
where: short stacking energy: -804.823
Base-Backbone interact. energy: -2.900
local terms energy: -867.400362
where:
bonds (distance) C4'-P energy: -152.646
bonds (distance) P-C4' energy: -160.250
flat angles C4'-P-C4' energy: -184.056
flat angles P-C4'-P energy: -132.783
tors. eta vs tors. theta energy: -237.665
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: 10
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -2603.055443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.055443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.513664 (E_RNA)
where:
Base-Base interactions energy: -1809.062
where: short stacking energy: -744.618
Base-Backbone interact. energy: -2.312
local terms energy: -793.140274
where:
bonds (distance) C4'-P energy: -138.077
bonds (distance) P-C4' energy: -143.111
flat angles C4'-P-C4' energy: -164.881
flat angles P-C4'-P energy: -137.540
tors. eta vs tors. theta energy: -209.531
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: 1
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -2458.093696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.093696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.020477 (E_RNA)
where:
Base-Base interactions energy: -1696.579
where: short stacking energy: -717.566
Base-Backbone interact. energy: -1.516
local terms energy: -761.925245
where:
bonds (distance) C4'-P energy: -139.376
bonds (distance) P-C4' energy: -140.421
flat angles C4'-P-C4' energy: -172.335
flat angles P-C4'-P energy: -109.041
tors. eta vs tors. theta energy: -200.752
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: 6, replica: 3
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -2310.311582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.311582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.752531 (E_RNA)
where:
Base-Base interactions energy: -1570.133
where: short stacking energy: -656.386
Base-Backbone interact. energy: 4.389
local terms energy: -747.008696
where:
bonds (distance) C4'-P energy: -143.399
bonds (distance) P-C4' energy: -160.424
flat angles C4'-P-C4' energy: -163.647
flat angles P-C4'-P energy: -87.512
tors. eta vs tors. theta energy: -192.026
Dist. restrs. and SS energy: 2.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -2091.819337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.819337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.235506 (E_RNA)
where:
Base-Base interactions energy: -1421.625
where: short stacking energy: -611.493
Base-Backbone interact. energy: 1.499
local terms energy: -675.109825
where:
bonds (distance) C4'-P energy: -133.082
bonds (distance) P-C4' energy: -129.553
flat angles C4'-P-C4' energy: -154.574
flat angles P-C4'-P energy: -112.396
tors. eta vs tors. theta energy: -145.505
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: 8, replica: 4
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -1978.745097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.745097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.695824 (E_RNA)
where:
Base-Base interactions energy: -1314.805
where: short stacking energy: -549.166
Base-Backbone interact. energy: 0.439
local terms energy: -667.329880
where:
bonds (distance) C4'-P energy: -135.770
bonds (distance) P-C4' energy: -137.635
flat angles C4'-P-C4' energy: -146.906
flat angles P-C4'-P energy: -91.925
tors. eta vs tors. theta energy: -155.095
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: 6
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -2027.531888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.531888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.802011 (E_RNA)
where:
Base-Base interactions energy: -1392.134
where: short stacking energy: -558.346
Base-Backbone interact. energy: 1.213
local terms energy: -642.880283
where:
bonds (distance) C4'-P energy: -122.049
bonds (distance) P-C4' energy: -118.432
flat angles C4'-P-C4' energy: -145.586
flat angles P-C4'-P energy: -97.122
tors. eta vs tors. theta energy: -159.692
Dist. restrs. and SS energy: 6.270 (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: 8
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -1866.612274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.612274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.833752 (E_RNA)
where:
Base-Base interactions energy: -1259.717
where: short stacking energy: -551.308
Base-Backbone interact. energy: -4.461
local terms energy: -606.655909
where:
bonds (distance) C4'-P energy: -122.941
bonds (distance) P-C4' energy: -115.551
flat angles C4'-P-C4' energy: -137.622
flat angles P-C4'-P energy: -97.053
tors. eta vs tors. theta energy: -133.489
Dist. restrs. and SS energy: 4.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -2949.659791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2949.659791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2950.724721 (E_RNA)
where:
Base-Base interactions energy: -2074.021
where: short stacking energy: -839.271
Base-Backbone interact. energy: 0.727
local terms energy: -877.430333
where:
bonds (distance) C4'-P energy: -165.228
bonds (distance) P-C4' energy: -168.890
flat angles C4'-P-C4' energy: -199.794
flat angles P-C4'-P energy: -107.666
tors. eta vs tors. theta energy: -235.852
Dist. restrs. and SS energy: 1.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -2817.149327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.149327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.727544 (E_RNA)
where:
Base-Base interactions energy: -1955.827
where: short stacking energy: -804.575
Base-Backbone interact. energy: 2.814
local terms energy: -865.715132
where:
bonds (distance) C4'-P energy: -165.452
bonds (distance) P-C4' energy: -154.705
flat angles C4'-P-C4' energy: -187.097
flat angles P-C4'-P energy: -130.326
tors. eta vs tors. theta energy: -228.135
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: 3, replica: 2
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -2755.006401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.006401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.417250 (E_RNA)
where:
Base-Base interactions energy: -1888.881
where: short stacking energy: -796.665
Base-Backbone interact. energy: -1.164
local terms energy: -866.372363
where:
bonds (distance) C4'-P energy: -161.590
bonds (distance) P-C4' energy: -159.871
flat angles C4'-P-C4' energy: -189.928
flat angles P-C4'-P energy: -125.530
tors. eta vs tors. theta energy: -229.453
Dist. restrs. and SS energy: 1.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -2628.605820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.605820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.361191 (E_RNA)
where:
Base-Base interactions energy: -1812.897
where: short stacking energy: -766.418
Base-Backbone interact. energy: -3.650
local terms energy: -813.814015
where:
bonds (distance) C4'-P energy: -157.779
bonds (distance) P-C4' energy: -150.910
flat angles C4'-P-C4' energy: -180.970
flat angles P-C4'-P energy: -114.310
tors. eta vs tors. theta energy: -209.845
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: 5, replica: 1
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -2458.061077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.061077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.962626 (E_RNA)
where:
Base-Base interactions energy: -1697.941
where: short stacking energy: -725.038
Base-Backbone interact. energy: 0.837
local terms energy: -762.858648
where:
bonds (distance) C4'-P energy: -143.246
bonds (distance) P-C4' energy: -154.469
flat angles C4'-P-C4' energy: -172.108
flat angles P-C4'-P energy: -81.751
tors. eta vs tors. theta energy: -211.285
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: 3
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -2284.657277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.657277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.677808 (E_RNA)
where:
Base-Base interactions energy: -1592.210
where: short stacking energy: -673.995
Base-Backbone interact. energy: 5.065
local terms energy: -700.532340
where:
bonds (distance) C4'-P energy: -125.316
bonds (distance) P-C4' energy: -135.225
flat angles C4'-P-C4' energy: -151.042
flat angles P-C4'-P energy: -107.068
tors. eta vs tors. theta energy: -181.880
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: 7, replica: 5
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -2089.244731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.244731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.941858 (E_RNA)
where:
Base-Base interactions energy: -1397.650
where: short stacking energy: -593.592
Base-Backbone interact. energy: 0.003
local terms energy: -693.294328
where:
bonds (distance) C4'-P energy: -134.342
bonds (distance) P-C4' energy: -123.836
flat angles C4'-P-C4' energy: -161.211
flat angles P-C4'-P energy: -106.598
tors. eta vs tors. theta energy: -167.307
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: 8, replica: 4
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -1975.848147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.848147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.173839 (E_RNA)
where:
Base-Base interactions energy: -1329.780
where: short stacking energy: -573.492
Base-Backbone interact. energy: -3.659
local terms energy: -647.734393
where:
bonds (distance) C4'-P energy: -127.070
bonds (distance) P-C4' energy: -122.176
flat angles C4'-P-C4' energy: -150.176
flat angles P-C4'-P energy: -94.394
tors. eta vs tors. theta energy: -153.919
Dist. restrs. and SS energy: 5.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -2018.254091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.254091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.969871 (E_RNA)
where:
Base-Base interactions energy: -1405.599
where: short stacking energy: -560.487
Base-Backbone interact. energy: -4.027
local terms energy: -613.343985
where:
bonds (distance) C4'-P energy: -142.155
bonds (distance) P-C4' energy: -142.463
flat angles C4'-P-C4' energy: -125.137
flat angles P-C4'-P energy: -71.182
tors. eta vs tors. theta energy: -132.407
Dist. restrs. and SS energy: 4.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -1920.851547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.851547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.849213 (E_RNA)
where:
Base-Base interactions energy: -1319.372
where: short stacking energy: -531.216
Base-Backbone interact. energy: -2.062
local terms energy: -602.414956
where:
bonds (distance) C4'-P energy: -122.473
bonds (distance) P-C4' energy: -120.380
flat angles C4'-P-C4' energy: -136.184
flat angles P-C4'-P energy: -88.792
tors. eta vs tors. theta energy: -134.585
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: 1, replica: 7
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -2924.815530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2924.815530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2925.611686 (E_RNA)
where:
Base-Base interactions energy: -2033.299
where: short stacking energy: -833.026
Base-Backbone interact. energy: -5.321
local terms energy: -886.991915
where:
bonds (distance) C4'-P energy: -164.081
bonds (distance) P-C4' energy: -162.772
flat angles C4'-P-C4' energy: -183.939
flat angles P-C4'-P energy: -141.512
tors. eta vs tors. theta energy: -234.688
Dist. restrs. and SS energy: 0.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -2810.245876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.245876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.398540 (E_RNA)
where:
Base-Base interactions energy: -1932.429
where: short stacking energy: -805.997
Base-Backbone interact. energy: -1.032
local terms energy: -878.938227
where:
bonds (distance) C4'-P energy: -160.008
bonds (distance) P-C4' energy: -176.896
flat angles C4'-P-C4' energy: -177.332
flat angles P-C4'-P energy: -134.365
tors. eta vs tors. theta energy: -230.338
Dist. restrs. and SS energy: 2.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -2712.485694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.485694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.084729 (E_RNA)
where:
Base-Base interactions energy: -1858.271
where: short stacking energy: -777.993
Base-Backbone interact. energy: -4.017
local terms energy: -851.796404
where:
bonds (distance) C4'-P energy: -158.002
bonds (distance) P-C4' energy: -161.271
flat angles C4'-P-C4' energy: -176.178
flat angles P-C4'-P energy: -120.141
tors. eta vs tors. theta energy: -236.204
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: 10
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -2615.344979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.344979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.509899 (E_RNA)
where:
Base-Base interactions energy: -1829.793
where: short stacking energy: -763.004
Base-Backbone interact. energy: 0.161
local terms energy: -787.878260
where:
bonds (distance) C4'-P energy: -135.015
bonds (distance) P-C4' energy: -151.844
flat angles C4'-P-C4' energy: -177.707
flat angles P-C4'-P energy: -108.752
tors. eta vs tors. theta energy: -214.561
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: 1
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -2470.386769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.386769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.752754 (E_RNA)
where:
Base-Base interactions energy: -1703.919
where: short stacking energy: -688.861
Base-Backbone interact. energy: 1.050
local terms energy: -769.883508
where:
bonds (distance) C4'-P energy: -143.639
bonds (distance) P-C4' energy: -146.942
flat angles C4'-P-C4' energy: -170.183
flat angles P-C4'-P energy: -105.366
tors. eta vs tors. theta energy: -203.753
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: 3
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -2295.952328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.952328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.682795 (E_RNA)
where:
Base-Base interactions energy: -1576.366
where: short stacking energy: -665.969
Base-Backbone interact. energy: -2.748
local terms energy: -718.568854
where:
bonds (distance) C4'-P energy: -128.835
bonds (distance) P-C4' energy: -141.635
flat angles C4'-P-C4' energy: -168.182
flat angles P-C4'-P energy: -102.978
tors. eta vs tors. theta energy: -176.940
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: 7, replica: 5
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -2111.391406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.391406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.723261 (E_RNA)
where:
Base-Base interactions energy: -1407.679
where: short stacking energy: -603.735
Base-Backbone interact. energy: -2.090
local terms energy: -703.954258
where:
bonds (distance) C4'-P energy: -145.920
bonds (distance) P-C4' energy: -137.410
flat angles C4'-P-C4' energy: -150.220
flat angles P-C4'-P energy: -102.493
tors. eta vs tors. theta energy: -167.911
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: 6
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -2116.545590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.545590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.434371 (E_RNA)
where:
Base-Base interactions energy: -1450.347
where: short stacking energy: -615.254
Base-Backbone interact. energy: -1.512
local terms energy: -668.575393
where:
bonds (distance) C4'-P energy: -138.839
bonds (distance) P-C4' energy: -128.062
flat angles C4'-P-C4' energy: -160.808
flat angles P-C4'-P energy: -84.271
tors. eta vs tors. theta energy: -156.595
Dist. restrs. and SS energy: 3.889 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -1918.523117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.523117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.616268 (E_RNA)
where:
Base-Base interactions energy: -1295.120
where: short stacking energy: -524.542
Base-Backbone interact. energy: 0.474
local terms energy: -626.970079
where:
bonds (distance) C4'-P energy: -131.509
bonds (distance) P-C4' energy: -138.670
flat angles C4'-P-C4' energy: -148.263
flat angles P-C4'-P energy: -81.777
tors. eta vs tors. theta energy: -126.752
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: 8
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -1892.067252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.067252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.871312 (E_RNA)
where:
Base-Base interactions energy: -1283.821
where: short stacking energy: -517.839
Base-Backbone interact. energy: -0.084
local terms energy: -610.966671
where:
bonds (distance) C4'-P energy: -140.332
bonds (distance) P-C4' energy: -116.686
flat angles C4'-P-C4' energy: -142.332
flat angles P-C4'-P energy: -80.513
tors. eta vs tors. theta energy: -131.103
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: 1, replica: 7
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -2921.036909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2921.036909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2922.128688 (E_RNA)
where:
Base-Base interactions energy: -2044.010
where: short stacking energy: -836.138
Base-Backbone interact. energy: 2.988
local terms energy: -881.106531
where:
bonds (distance) C4'-P energy: -152.858
bonds (distance) P-C4' energy: -165.180
flat angles C4'-P-C4' energy: -192.934
flat angles P-C4'-P energy: -121.712
tors. eta vs tors. theta energy: -248.423
Dist. restrs. and SS energy: 1.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -2804.304809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.304809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.358089 (E_RNA)
where:
Base-Base interactions energy: -1957.893
where: short stacking energy: -826.714
Base-Backbone interact. energy: -2.932
local terms energy: -844.533803
where:
bonds (distance) C4'-P energy: -149.091
bonds (distance) P-C4' energy: -161.398
flat angles C4'-P-C4' energy: -171.245
flat angles P-C4'-P energy: -121.774
tors. eta vs tors. theta energy: -241.026
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: 9
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -2722.681721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.681721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.752755 (E_RNA)
where:
Base-Base interactions energy: -1915.213
where: short stacking energy: -808.399
Base-Backbone interact. energy: 3.327
local terms energy: -811.866846
where:
bonds (distance) C4'-P energy: -138.363
bonds (distance) P-C4' energy: -171.061
flat angles C4'-P-C4' energy: -165.614
flat angles P-C4'-P energy: -104.019
tors. eta vs tors. theta energy: -232.810
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: 4, replica: 10
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -2592.807497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.807497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.477033 (E_RNA)
where:
Base-Base interactions energy: -1782.596
where: short stacking energy: -726.768
Base-Backbone interact. energy: -2.072
local terms energy: -809.809442
where:
bonds (distance) C4'-P energy: -156.752
bonds (distance) P-C4' energy: -130.099
flat angles C4'-P-C4' energy: -181.382
flat angles P-C4'-P energy: -117.913
tors. eta vs tors. theta energy: -223.664
Dist. restrs. and SS energy: 1.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -2488.659525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.659525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.478804 (E_RNA)
where:
Base-Base interactions energy: -1751.808
where: short stacking energy: -729.588
Base-Backbone interact. energy: 1.224
local terms energy: -739.894277
where:
bonds (distance) C4'-P energy: -118.794
bonds (distance) P-C4' energy: -144.572
flat angles C4'-P-C4' energy: -167.804
flat angles P-C4'-P energy: -103.233
tors. eta vs tors. theta energy: -205.491
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: 6, replica: 3
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -2303.875760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.875760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.583714 (E_RNA)
where:
Base-Base interactions energy: -1575.085
where: short stacking energy: -643.885
Base-Backbone interact. energy: 0.074
local terms energy: -731.572520
where:
bonds (distance) C4'-P energy: -139.742
bonds (distance) P-C4' energy: -149.956
flat angles C4'-P-C4' energy: -153.873
flat angles P-C4'-P energy: -109.344
tors. eta vs tors. theta energy: -178.657
Dist. restrs. and SS energy: 2.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -2153.066915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.066915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.970058 (E_RNA)
where:
Base-Base interactions energy: -1470.290
where: short stacking energy: -605.265
Base-Backbone interact. energy: -3.698
local terms energy: -681.982987
where:
bonds (distance) C4'-P energy: -131.519
bonds (distance) P-C4' energy: -151.641
flat angles C4'-P-C4' energy: -157.231
flat angles P-C4'-P energy: -84.578
tors. eta vs tors. theta energy: -157.015
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: 8, replica: 5
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -1998.601949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.601949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.304915 (E_RNA)
where:
Base-Base interactions energy: -1351.036
where: short stacking energy: -568.138
Base-Backbone interact. energy: -2.167
local terms energy: -648.101647
where:
bonds (distance) C4'-P energy: -118.751
bonds (distance) P-C4' energy: -142.641
flat angles C4'-P-C4' energy: -143.813
flat angles P-C4'-P energy: -83.741
tors. eta vs tors. theta energy: -159.156
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: 9, replica: 8
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -1963.380792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.380792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.946050 (E_RNA)
where:
Base-Base interactions energy: -1325.766
where: short stacking energy: -557.906
Base-Backbone interact. energy: -4.207
local terms energy: -635.973284
where:
bonds (distance) C4'-P energy: -119.130
bonds (distance) P-C4' energy: -150.227
flat angles C4'-P-C4' energy: -133.922
flat angles P-C4'-P energy: -83.236
tors. eta vs tors. theta energy: -149.458
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: 4
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -1856.044486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.044486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.187793 (E_RNA)
where:
Base-Base interactions energy: -1253.056
where: short stacking energy: -526.070
Base-Backbone interact. energy: 1.879
local terms energy: -608.011052
where:
bonds (distance) C4'-P energy: -124.328
bonds (distance) P-C4' energy: -127.017
flat angles C4'-P-C4' energy: -155.538
flat angles P-C4'-P energy: -72.411
tors. eta vs tors. theta energy: -128.717
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: 1, replica: 7
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -2922.894872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2922.894872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2924.774347 (E_RNA)
where:
Base-Base interactions energy: -2059.025
where: short stacking energy: -847.586
Base-Backbone interact. energy: -3.394
local terms energy: -862.354480
where:
bonds (distance) C4'-P energy: -153.780
bonds (distance) P-C4' energy: -157.535
flat angles C4'-P-C4' energy: -180.041
flat angles P-C4'-P energy: -116.094
tors. eta vs tors. theta energy: -254.905
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: 2, replica: 2
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -2803.676882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.676882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.425731 (E_RNA)
where:
Base-Base interactions energy: -1946.698
where: short stacking energy: -827.362
Base-Backbone interact. energy: -3.189
local terms energy: -855.538906
where:
bonds (distance) C4'-P energy: -155.368
bonds (distance) P-C4' energy: -151.461
flat angles C4'-P-C4' energy: -185.213
flat angles P-C4'-P energy: -109.538
tors. eta vs tors. theta energy: -253.959
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: 3, replica: 9
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -2761.418020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.418020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.706534 (E_RNA)
where:
Base-Base interactions energy: -1892.846
where: short stacking energy: -802.511
Base-Backbone interact. energy: 1.234
local terms energy: -871.094783
where:
bonds (distance) C4'-P energy: -155.041
bonds (distance) P-C4' energy: -160.967
flat angles C4'-P-C4' energy: -185.772
flat angles P-C4'-P energy: -123.974
tors. eta vs tors. theta energy: -245.340
Dist. restrs. and SS energy: 1.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -2566.756325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.756325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.400717 (E_RNA)
where:
Base-Base interactions energy: -1760.724
where: short stacking energy: -749.592
Base-Backbone interact. energy: -1.187
local terms energy: -806.489038
where:
bonds (distance) C4'-P energy: -154.877
bonds (distance) P-C4' energy: -146.477
flat angles C4'-P-C4' energy: -166.646
flat angles P-C4'-P energy: -115.467
tors. eta vs tors. theta energy: -223.023
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: 5, replica: 1
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -2482.313357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.313357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.542186 (E_RNA)
where:
Base-Base interactions energy: -1682.382
where: short stacking energy: -706.398
Base-Backbone interact. energy: -6.741
local terms energy: -796.419155
where:
bonds (distance) C4'-P energy: -148.494
bonds (distance) P-C4' energy: -145.649
flat angles C4'-P-C4' energy: -164.343
flat angles P-C4'-P energy: -128.325
tors. eta vs tors. theta energy: -209.609
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: 6, replica: 3
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -2338.941369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.941369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.099079 (E_RNA)
where:
Base-Base interactions energy: -1625.476
where: short stacking energy: -680.119
Base-Backbone interact. energy: -1.094
local terms energy: -715.529091
where:
bonds (distance) C4'-P energy: -130.870
bonds (distance) P-C4' energy: -135.635
flat angles C4'-P-C4' energy: -165.483
flat angles P-C4'-P energy: -90.644
tors. eta vs tors. theta energy: -192.897
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: 7, replica: 6
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -2169.232251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.232251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.788238 (E_RNA)
where:
Base-Base interactions energy: -1488.076
where: short stacking energy: -620.106
Base-Backbone interact. energy: 5.023
local terms energy: -687.734275
where:
bonds (distance) C4'-P energy: -147.419
bonds (distance) P-C4' energy: -135.092
flat angles C4'-P-C4' energy: -148.435
flat angles P-C4'-P energy: -101.233
tors. eta vs tors. theta energy: -155.556
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: 8, replica: 5
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -1988.654840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.654840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.715903 (E_RNA)
where:
Base-Base interactions energy: -1347.949
where: short stacking energy: -571.550
Base-Backbone interact. energy: -1.229
local terms energy: -641.537281
where:
bonds (distance) C4'-P energy: -125.895
bonds (distance) P-C4' energy: -123.426
flat angles C4'-P-C4' energy: -140.476
flat angles P-C4'-P energy: -95.464
tors. eta vs tors. theta energy: -156.276
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: 9, replica: 8
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -1984.934815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.934815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.469003 (E_RNA)
where:
Base-Base interactions energy: -1316.229
where: short stacking energy: -573.620
Base-Backbone interact. energy: 5.759
local terms energy: -677.999441
where:
bonds (distance) C4'-P energy: -138.333
bonds (distance) P-C4' energy: -147.784
flat angles C4'-P-C4' energy: -150.931
flat angles P-C4'-P energy: -89.910
tors. eta vs tors. theta energy: -151.042
Dist. restrs. and SS energy: 3.534 (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: 4
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -1888.739317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.739317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.715557 (E_RNA)
where:
Base-Base interactions energy: -1298.952
where: short stacking energy: -559.335
Base-Backbone interact. energy: 0.541
local terms energy: -594.303671
where:
bonds (distance) C4'-P energy: -97.681
bonds (distance) P-C4' energy: -127.227
flat angles C4'-P-C4' energy: -141.306
flat angles P-C4'-P energy: -98.434
tors. eta vs tors. theta energy: -129.655
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: 1, replica: 7
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -2966.176446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2966.176446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2967.172499 (E_RNA)
where:
Base-Base interactions energy: -2075.379
where: short stacking energy: -852.615
Base-Backbone interact. energy: 2.214
local terms energy: -894.007932
where:
bonds (distance) C4'-P energy: -168.910
bonds (distance) P-C4' energy: -161.405
flat angles C4'-P-C4' energy: -197.567
flat angles P-C4'-P energy: -119.968
tors. eta vs tors. theta energy: -246.157
Dist. restrs. and SS energy: 0.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -2807.381182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.381182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.785516 (E_RNA)
where:
Base-Base interactions energy: -1932.332
where: short stacking energy: -825.709
Base-Backbone interact. energy: 3.348
local terms energy: -879.802106
where:
bonds (distance) C4'-P energy: -161.931
bonds (distance) P-C4' energy: -159.724
flat angles C4'-P-C4' energy: -183.963
flat angles P-C4'-P energy: -125.388
tors. eta vs tors. theta energy: -248.796
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: 9
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -2742.321994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.321994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.583324 (E_RNA)
where:
Base-Base interactions energy: -1922.667
where: short stacking energy: -800.253
Base-Backbone interact. energy: -1.293
local terms energy: -819.623345
where:
bonds (distance) C4'-P energy: -145.129
bonds (distance) P-C4' energy: -143.819
flat angles C4'-P-C4' energy: -158.885
flat angles P-C4'-P energy: -131.037
tors. eta vs tors. theta energy: -240.754
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: 4, replica: 10
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -2603.576309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.576309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.366003 (E_RNA)
where:
Base-Base interactions energy: -1811.047
where: short stacking energy: -775.659
Base-Backbone interact. energy: -0.142
local terms energy: -794.176494
where:
bonds (distance) C4'-P energy: -128.821
bonds (distance) P-C4' energy: -144.869
flat angles C4'-P-C4' energy: -171.591
flat angles P-C4'-P energy: -121.008
tors. eta vs tors. theta energy: -227.887
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: 5, replica: 1
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -2464.399770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.399770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.096969 (E_RNA)
where:
Base-Base interactions energy: -1698.255
where: short stacking energy: -694.683
Base-Backbone interact. energy: 1.205
local terms energy: -769.046997
where:
bonds (distance) C4'-P energy: -158.661
bonds (distance) P-C4' energy: -143.786
flat angles C4'-P-C4' energy: -173.069
flat angles P-C4'-P energy: -105.831
tors. eta vs tors. theta energy: -187.700
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: 3
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -2337.214717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.214717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.304987 (E_RNA)
where:
Base-Base interactions energy: -1611.713
where: short stacking energy: -654.414
Base-Backbone interact. energy: 2.545
local terms energy: -731.137207
where:
bonds (distance) C4'-P energy: -119.079
bonds (distance) P-C4' energy: -151.792
flat angles C4'-P-C4' energy: -160.465
flat angles P-C4'-P energy: -119.913
tors. eta vs tors. theta energy: -179.888
Dist. restrs. and SS energy: 3.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -2174.068788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.068788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.067365 (E_RNA)
where:
Base-Base interactions energy: -1463.479
where: short stacking energy: -606.938
Base-Backbone interact. energy: 5.846
local terms energy: -718.433507
where:
bonds (distance) C4'-P energy: -160.042
bonds (distance) P-C4' energy: -143.701
flat angles C4'-P-C4' energy: -156.350
flat angles P-C4'-P energy: -101.909
tors. eta vs tors. theta energy: -156.433
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: 8, replica: 5
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -1971.128322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.128322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.238564 (E_RNA)
where:
Base-Base interactions energy: -1325.235
where: short stacking energy: -576.670
Base-Backbone interact. energy: -2.360
local terms energy: -645.642990
where:
bonds (distance) C4'-P energy: -130.658
bonds (distance) P-C4' energy: -135.603
flat angles C4'-P-C4' energy: -146.149
flat angles P-C4'-P energy: -81.564
tors. eta vs tors. theta energy: -151.668
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: 9, replica: 4
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -1940.439699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.439699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.528397 (E_RNA)
where:
Base-Base interactions energy: -1331.366
where: short stacking energy: -530.691
Base-Backbone interact. energy: -3.357
local terms energy: -607.804764
where:
bonds (distance) C4'-P energy: -98.463
bonds (distance) P-C4' energy: -126.686
flat angles C4'-P-C4' energy: -153.664
flat angles P-C4'-P energy: -82.697
tors. eta vs tors. theta energy: -146.295
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: 10, replica: 8
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -1873.710454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.710454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.750686 (E_RNA)
where:
Base-Base interactions energy: -1254.392
where: short stacking energy: -548.922
Base-Backbone interact. energy: -1.922
local terms energy: -621.436253
where:
bonds (distance) C4'-P energy: -137.681
bonds (distance) P-C4' energy: -120.370
flat angles C4'-P-C4' energy: -146.476
flat angles P-C4'-P energy: -79.431
tors. eta vs tors. theta energy: -137.478
Dist. restrs. and SS energy: 4.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -2970.587146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2970.587146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2971.886298 (E_RNA)
where:
Base-Base interactions energy: -2083.861
where: short stacking energy: -861.050
Base-Backbone interact. energy: -4.827
local terms energy: -883.197957
where:
bonds (distance) C4'-P energy: -155.637
bonds (distance) P-C4' energy: -168.264
flat angles C4'-P-C4' energy: -183.866
flat angles P-C4'-P energy: -121.877
tors. eta vs tors. theta energy: -253.555
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: 2, replica: 2
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -2802.262397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.262397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.322700 (E_RNA)
where:
Base-Base interactions energy: -1936.709
where: short stacking energy: -823.666
Base-Backbone interact. energy: -3.618
local terms energy: -862.995849
where:
bonds (distance) C4'-P energy: -153.052
bonds (distance) P-C4' energy: -160.777
flat angles C4'-P-C4' energy: -169.352
flat angles P-C4'-P energy: -128.185
tors. eta vs tors. theta energy: -251.631
Dist. restrs. and SS energy: 1.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -2722.540224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.540224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.895227 (E_RNA)
where:
Base-Base interactions energy: -1880.845
where: short stacking energy: -793.649
Base-Backbone interact. energy: 1.462
local terms energy: -844.511534
where:
bonds (distance) C4'-P energy: -152.919
bonds (distance) P-C4' energy: -150.156
flat angles C4'-P-C4' energy: -169.879
flat angles P-C4'-P energy: -130.940
tors. eta vs tors. theta energy: -240.617
Dist. restrs. and SS energy: 1.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -2631.332834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.332834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.822861 (E_RNA)
where:
Base-Base interactions energy: -1818.791
where: short stacking energy: -754.790
Base-Backbone interact. energy: -2.446
local terms energy: -812.586570
where:
bonds (distance) C4'-P energy: -158.805
bonds (distance) P-C4' energy: -148.135
flat angles C4'-P-C4' energy: -170.261
flat angles P-C4'-P energy: -115.289
tors. eta vs tors. theta energy: -220.096
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: 1
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -2479.344116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.344116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.297388 (E_RNA)
where:
Base-Base interactions energy: -1713.391
where: short stacking energy: -734.908
Base-Backbone interact. energy: 6.631
local terms energy: -774.537227
where:
bonds (distance) C4'-P energy: -149.347
bonds (distance) P-C4' energy: -135.750
flat angles C4'-P-C4' energy: -169.917
flat angles P-C4'-P energy: -109.023
tors. eta vs tors. theta energy: -210.501
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: 6, replica: 3
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -2355.983367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.983367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.184415 (E_RNA)
where:
Base-Base interactions energy: -1624.284
where: short stacking energy: -676.579
Base-Backbone interact. energy: -1.632
local terms energy: -732.268944
where:
bonds (distance) C4'-P energy: -143.074
bonds (distance) P-C4' energy: -146.725
flat angles C4'-P-C4' energy: -157.843
flat angles P-C4'-P energy: -90.919
tors. eta vs tors. theta energy: -193.707
Dist. restrs. and SS energy: 2.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -2188.454479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.454479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.119807 (E_RNA)
where:
Base-Base interactions energy: -1498.450
where: short stacking energy: -648.187
Base-Backbone interact. energy: -1.243
local terms energy: -690.426244
where:
bonds (distance) C4'-P energy: -129.221
bonds (distance) P-C4' energy: -149.516
flat angles C4'-P-C4' energy: -159.459
flat angles P-C4'-P energy: -85.424
tors. eta vs tors. theta energy: -166.806
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: 8, replica: 5
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -2009.015536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.015536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.551640 (E_RNA)
where:
Base-Base interactions energy: -1374.842
where: short stacking energy: -584.049
Base-Backbone interact. energy: -3.815
local terms energy: -633.894303
where:
bonds (distance) C4'-P energy: -131.199
bonds (distance) P-C4' energy: -139.412
flat angles C4'-P-C4' energy: -154.288
flat angles P-C4'-P energy: -56.801
tors. eta vs tors. theta energy: -152.194
Dist. restrs. and SS energy: 3.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -1932.276964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.276964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.067444 (E_RNA)
where:
Base-Base interactions energy: -1319.435
where: short stacking energy: -543.909
Base-Backbone interact. energy: 0.110
local terms energy: -615.742178
where:
bonds (distance) C4'-P energy: -122.661
bonds (distance) P-C4' energy: -128.075
flat angles C4'-P-C4' energy: -134.919
flat angles P-C4'-P energy: -87.355
tors. eta vs tors. theta energy: -142.733
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: 10, replica: 8
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -1887.522864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.522864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.189239 (E_RNA)
where:
Base-Base interactions energy: -1362.583
where: short stacking energy: -560.867
Base-Backbone interact. energy: 4.091
local terms energy: -531.697488
where:
bonds (distance) C4'-P energy: -122.273
bonds (distance) P-C4' energy: -82.214
flat angles C4'-P-C4' energy: -130.781
flat angles P-C4'-P energy: -61.609
tors. eta vs tors. theta energy: -134.820
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: 1, replica: 7
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -2953.966864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2953.966864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2955.653792 (E_RNA)
where:
Base-Base interactions energy: -2058.173
where: short stacking energy: -846.654
Base-Backbone interact. energy: -3.547
local terms energy: -893.933450
where:
bonds (distance) C4'-P energy: -169.649
bonds (distance) P-C4' energy: -169.336
flat angles C4'-P-C4' energy: -181.353
flat angles P-C4'-P energy: -123.747
tors. eta vs tors. theta energy: -249.849
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: 2
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -2803.266867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.266867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.603183 (E_RNA)
where:
Base-Base interactions energy: -1963.977
where: short stacking energy: -837.272
Base-Backbone interact. energy: -0.757
local terms energy: -839.869230
where:
bonds (distance) C4'-P energy: -147.849
bonds (distance) P-C4' energy: -161.741
flat angles C4'-P-C4' energy: -180.268
flat angles P-C4'-P energy: -108.490
tors. eta vs tors. theta energy: -241.521
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: 3, replica: 9
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -2757.157429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.157429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.568442 (E_RNA)
where:
Base-Base interactions energy: -1911.844
where: short stacking energy: -808.382
Base-Backbone interact. energy: -0.031
local terms energy: -846.692729
where:
bonds (distance) C4'-P energy: -145.543
bonds (distance) P-C4' energy: -164.450
flat angles C4'-P-C4' energy: -174.297
flat angles P-C4'-P energy: -122.220
tors. eta vs tors. theta energy: -240.182
Dist. restrs. and SS energy: 1.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -2616.907704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.907704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.129922 (E_RNA)
where:
Base-Base interactions energy: -1814.336
where: short stacking energy: -742.698
Base-Backbone interact. energy: -2.070
local terms energy: -803.723193
where:
bonds (distance) C4'-P energy: -148.780
bonds (distance) P-C4' energy: -147.481
flat angles C4'-P-C4' energy: -174.404
flat angles P-C4'-P energy: -105.171
tors. eta vs tors. theta energy: -227.887
Dist. restrs. and SS energy: 3.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -2450.684286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.684286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.569971 (E_RNA)
where:
Base-Base interactions energy: -1694.792
where: short stacking energy: -694.332
Base-Backbone interact. energy: -2.694
local terms energy: -755.084247
where:
bonds (distance) C4'-P energy: -141.464
bonds (distance) P-C4' energy: -150.007
flat angles C4'-P-C4' energy: -166.310
flat angles P-C4'-P energy: -108.687
tors. eta vs tors. theta energy: -188.616
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: 6, replica: 3
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -2352.445518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.445518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.633944 (E_RNA)
where:
Base-Base interactions energy: -1633.776
where: short stacking energy: -705.204
Base-Backbone interact. energy: -3.228
local terms energy: -717.629277
where:
bonds (distance) C4'-P energy: -140.121
bonds (distance) P-C4' energy: -146.941
flat angles C4'-P-C4' energy: -145.323
flat angles P-C4'-P energy: -99.029
tors. eta vs tors. theta energy: -186.216
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: 7, replica: 6
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -2242.470887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.470887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.718343 (E_RNA)
where:
Base-Base interactions energy: -1541.184
where: short stacking energy: -643.119
Base-Backbone interact. energy: -2.458
local terms energy: -701.076754
where:
bonds (distance) C4'-P energy: -130.824
bonds (distance) P-C4' energy: -160.802
flat angles C4'-P-C4' energy: -147.400
flat angles P-C4'-P energy: -100.354
tors. eta vs tors. theta energy: -161.697
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: 8, replica: 5
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -2060.843122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.843122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.168247 (E_RNA)
where:
Base-Base interactions energy: -1420.310
where: short stacking energy: -601.036
Base-Backbone interact. energy: -1.656
local terms energy: -640.202090
where:
bonds (distance) C4'-P energy: -126.581
bonds (distance) P-C4' energy: -116.043
flat angles C4'-P-C4' energy: -133.734
flat angles P-C4'-P energy: -106.154
tors. eta vs tors. theta energy: -157.690
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: 9, replica: 4
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -1961.831934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.831934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.877358 (E_RNA)
where:
Base-Base interactions energy: -1309.631
where: short stacking energy: -560.811
Base-Backbone interact. energy: -1.864
local terms energy: -656.382266
where:
bonds (distance) C4'-P energy: -128.560
bonds (distance) P-C4' energy: -154.019
flat angles C4'-P-C4' energy: -145.984
flat angles P-C4'-P energy: -96.715
tors. eta vs tors. theta energy: -131.105
Dist. restrs. and SS energy: 6.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -1867.809466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.809466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.602410 (E_RNA)
where:
Base-Base interactions energy: -1261.497
where: short stacking energy: -522.296
Base-Backbone interact. energy: 1.596
local terms energy: -611.700930
where:
bonds (distance) C4'-P energy: -116.860
bonds (distance) P-C4' energy: -118.729
flat angles C4'-P-C4' energy: -135.262
flat angles P-C4'-P energy: -98.685
tors. eta vs tors. theta energy: -142.165
Dist. restrs. and SS energy: 3.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -2935.637989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2935.637989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2937.195627 (E_RNA)
where:
Base-Base interactions energy: -2051.075
where: short stacking energy: -840.474
Base-Backbone interact. energy: -2.944
local terms energy: -883.177160
where:
bonds (distance) C4'-P energy: -155.777
bonds (distance) P-C4' energy: -161.256
flat angles C4'-P-C4' energy: -190.063
flat angles P-C4'-P energy: -127.093
tors. eta vs tors. theta energy: -248.989
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: 2, replica: 2
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -2820.094752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.094752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.863365 (E_RNA)
where:
Base-Base interactions energy: -1959.729
where: short stacking energy: -824.689
Base-Backbone interact. energy: -4.469
local terms energy: -857.664994
where:
bonds (distance) C4'-P energy: -166.179
bonds (distance) P-C4' energy: -156.322
flat angles C4'-P-C4' energy: -173.428
flat angles P-C4'-P energy: -123.137
tors. eta vs tors. theta energy: -238.599
Dist. restrs. and SS energy: 1.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -2748.185775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.185775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.321484 (E_RNA)
where:
Base-Base interactions energy: -1903.400
where: short stacking energy: -810.133
Base-Backbone interact. energy: 0.237
local terms energy: -847.158452
where:
bonds (distance) C4'-P energy: -145.436
bonds (distance) P-C4' energy: -157.437
flat angles C4'-P-C4' energy: -179.679
flat angles P-C4'-P energy: -124.915
tors. eta vs tors. theta energy: -239.692
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: 4, replica: 10
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -2605.950588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.950588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.997679 (E_RNA)
where:
Base-Base interactions energy: -1786.824
where: short stacking energy: -761.309
Base-Backbone interact. energy: -5.960
local terms energy: -815.213050
where:
bonds (distance) C4'-P energy: -137.724
bonds (distance) P-C4' energy: -156.097
flat angles C4'-P-C4' energy: -172.873
flat angles P-C4'-P energy: -118.897
tors. eta vs tors. theta energy: -229.622
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: 1
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -2418.000434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.000434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.874984 (E_RNA)
where:
Base-Base interactions energy: -1645.408
where: short stacking energy: -667.976
Base-Backbone interact. energy: -3.394
local terms energy: -770.073580
where:
bonds (distance) C4'-P energy: -140.149
bonds (distance) P-C4' energy: -166.099
flat angles C4'-P-C4' energy: -170.967
flat angles P-C4'-P energy: -94.987
tors. eta vs tors. theta energy: -197.872
Dist. restrs. and SS energy: 0.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -2332.363977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.363977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.453413 (E_RNA)
where:
Base-Base interactions energy: -1603.716
where: short stacking energy: -679.983
Base-Backbone interact. energy: -0.856
local terms energy: -729.881128
where:
bonds (distance) C4'-P energy: -148.620
bonds (distance) P-C4' energy: -134.027
flat angles C4'-P-C4' energy: -153.215
flat angles P-C4'-P energy: -99.313
tors. eta vs tors. theta energy: -194.706
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: 7, replica: 6
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -2203.446822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.446822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.180619 (E_RNA)
where:
Base-Base interactions energy: -1523.526
where: short stacking energy: -651.423
Base-Backbone interact. energy: -2.682
local terms energy: -679.973068
where:
bonds (distance) C4'-P energy: -117.642
bonds (distance) P-C4' energy: -137.445
flat angles C4'-P-C4' energy: -152.331
flat angles P-C4'-P energy: -98.884
tors. eta vs tors. theta energy: -173.671
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: 5
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -2031.553290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.553290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.012275 (E_RNA)
where:
Base-Base interactions energy: -1369.477
where: short stacking energy: -604.358
Base-Backbone interact. energy: -1.450
local terms energy: -664.085673
where:
bonds (distance) C4'-P energy: -141.657
bonds (distance) P-C4' energy: -152.234
flat angles C4'-P-C4' energy: -131.392
flat angles P-C4'-P energy: -93.404
tors. eta vs tors. theta energy: -145.398
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: 9, replica: 4
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -1980.827494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.827494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.096962 (E_RNA)
where:
Base-Base interactions energy: -1354.926
where: short stacking energy: -565.224
Base-Backbone interact. energy: 3.018
local terms energy: -634.188625
where:
bonds (distance) C4'-P energy: -111.670
bonds (distance) P-C4' energy: -150.745
flat angles C4'-P-C4' energy: -128.919
flat angles P-C4'-P energy: -83.308
tors. eta vs tors. theta energy: -159.547
Dist. restrs. and SS energy: 5.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -1818.121837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.121837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.875543 (E_RNA)
where:
Base-Base interactions energy: -1248.751
where: short stacking energy: -486.292
Base-Backbone interact. energy: 0.031
local terms energy: -572.156008
where:
bonds (distance) C4'-P energy: -118.253
bonds (distance) P-C4' energy: -130.501
flat angles C4'-P-C4' energy: -127.287
flat angles P-C4'-P energy: -78.255
tors. eta vs tors. theta energy: -117.860
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: 7
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -2939.884582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2939.884582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2941.380042 (E_RNA)
where:
Base-Base interactions energy: -2070.016
where: short stacking energy: -867.775
Base-Backbone interact. energy: 1.038
local terms energy: -872.401732
where:
bonds (distance) C4'-P energy: -159.240
bonds (distance) P-C4' energy: -160.622
flat angles C4'-P-C4' energy: -181.927
flat angles P-C4'-P energy: -118.959
tors. eta vs tors. theta energy: -251.654
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: 2
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -2788.090533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.090533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.454157 (E_RNA)
where:
Base-Base interactions energy: -1956.627
where: short stacking energy: -800.250
Base-Backbone interact. energy: 3.185
local terms energy: -836.011805
where:
bonds (distance) C4'-P energy: -141.163
bonds (distance) P-C4' energy: -157.111
flat angles C4'-P-C4' energy: -183.103
flat angles P-C4'-P energy: -113.395
tors. eta vs tors. theta energy: -241.240
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: 3, replica: 9
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -2723.999529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.999529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.923040 (E_RNA)
where:
Base-Base interactions energy: -1907.492
where: short stacking energy: -808.405
Base-Backbone interact. energy: 1.513
local terms energy: -819.944449
where:
bonds (distance) C4'-P energy: -151.895
bonds (distance) P-C4' energy: -143.794
flat angles C4'-P-C4' energy: -174.635
flat angles P-C4'-P energy: -113.938
tors. eta vs tors. theta energy: -235.683
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: 4, replica: 10
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -2642.999533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.999533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.809438 (E_RNA)
where:
Base-Base interactions energy: -1822.900
where: short stacking energy: -800.064
Base-Backbone interact. energy: -1.295
local terms energy: -821.614875
where:
bonds (distance) C4'-P energy: -142.156
bonds (distance) P-C4' energy: -149.675
flat angles C4'-P-C4' energy: -181.244
flat angles P-C4'-P energy: -113.927
tors. eta vs tors. theta energy: -234.613
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: 1
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -2464.358262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.358262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.427577 (E_RNA)
where:
Base-Base interactions energy: -1680.604
where: short stacking energy: -723.371
Base-Backbone interact. energy: -2.709
local terms energy: -783.114349
where:
bonds (distance) C4'-P energy: -134.705
bonds (distance) P-C4' energy: -161.897
flat angles C4'-P-C4' energy: -164.666
flat angles P-C4'-P energy: -102.005
tors. eta vs tors. theta energy: -219.841
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: 6, replica: 3
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -2374.548330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.548330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.588933 (E_RNA)
where:
Base-Base interactions energy: -1626.672
where: short stacking energy: -683.480
Base-Backbone interact. energy: -2.159
local terms energy: -747.758326
where:
bonds (distance) C4'-P energy: -127.871
bonds (distance) P-C4' energy: -165.230
flat angles C4'-P-C4' energy: -156.018
flat angles P-C4'-P energy: -108.515
tors. eta vs tors. theta energy: -190.124
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: 6
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -2185.111004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.111004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.906474 (E_RNA)
where:
Base-Base interactions energy: -1479.973
where: short stacking energy: -613.290
Base-Backbone interact. energy: -0.416
local terms energy: -706.517185
where:
bonds (distance) C4'-P energy: -139.636
bonds (distance) P-C4' energy: -151.107
flat angles C4'-P-C4' energy: -148.483
flat angles P-C4'-P energy: -109.520
tors. eta vs tors. theta energy: -157.771
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: 8, replica: 5
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -2074.792270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.792270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.853418 (E_RNA)
where:
Base-Base interactions energy: -1424.579
where: short stacking energy: -584.461
Base-Backbone interact. energy: -2.788
local terms energy: -650.486363
where:
bonds (distance) C4'-P energy: -122.632
bonds (distance) P-C4' energy: -145.872
flat angles C4'-P-C4' energy: -133.800
flat angles P-C4'-P energy: -94.583
tors. eta vs tors. theta energy: -153.599
Dist. restrs. and SS energy: 3.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -1948.076792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.076792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.406202 (E_RNA)
where:
Base-Base interactions energy: -1301.710
where: short stacking energy: -550.885
Base-Backbone interact. energy: -5.429
local terms energy: -643.267533
where:
bonds (distance) C4'-P energy: -127.266
bonds (distance) P-C4' energy: -127.004
flat angles C4'-P-C4' energy: -152.530
flat angles P-C4'-P energy: -91.596
tors. eta vs tors. theta energy: -144.873
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: 8
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -1875.392640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.392640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.481339 (E_RNA)
where:
Base-Base interactions energy: -1289.879
where: short stacking energy: -521.165
Base-Backbone interact. energy: 0.436
local terms energy: -591.038379
where:
bonds (distance) C4'-P energy: -124.941
bonds (distance) P-C4' energy: -143.576
flat angles C4'-P-C4' energy: -136.484
flat angles P-C4'-P energy: -61.345
tors. eta vs tors. theta energy: -124.693
Dist. restrs. and SS energy: 5.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -2955.595349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2955.595349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2956.535249 (E_RNA)
where:
Base-Base interactions energy: -2092.164
where: short stacking energy: -855.484
Base-Backbone interact. energy: 0.275
local terms energy: -864.646495
where:
bonds (distance) C4'-P energy: -162.633
bonds (distance) P-C4' energy: -148.630
flat angles C4'-P-C4' energy: -188.490
flat angles P-C4'-P energy: -122.207
tors. eta vs tors. theta energy: -242.687
Dist. restrs. and SS energy: 0.940 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -2798.479113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.479113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.292237 (E_RNA)
where:
Base-Base interactions energy: -1942.696
where: short stacking energy: -838.119
Base-Backbone interact. energy: 0.272
local terms energy: -859.868285
where:
bonds (distance) C4'-P energy: -158.629
bonds (distance) P-C4' energy: -147.452
flat angles C4'-P-C4' energy: -183.193
flat angles P-C4'-P energy: -122.527
tors. eta vs tors. theta energy: -248.068
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: 3, replica: 2
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -2722.136015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.136015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.548203 (E_RNA)
where:
Base-Base interactions energy: -1904.944
where: short stacking energy: -780.647
Base-Backbone interact. energy: -2.536
local terms energy: -816.067971
where:
bonds (distance) C4'-P energy: -137.378
bonds (distance) P-C4' energy: -152.399
flat angles C4'-P-C4' energy: -169.890
flat angles P-C4'-P energy: -133.223
tors. eta vs tors. theta energy: -223.178
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: 10
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -2669.687928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.687928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.125486 (E_RNA)
where:
Base-Base interactions energy: -1852.583
where: short stacking energy: -776.918
Base-Backbone interact. energy: -2.955
local terms energy: -816.588098
where:
bonds (distance) C4'-P energy: -146.892
bonds (distance) P-C4' energy: -140.870
flat angles C4'-P-C4' energy: -174.033
flat angles P-C4'-P energy: -125.702
tors. eta vs tors. theta energy: -229.092
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: 5, replica: 1
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -2485.634418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.634418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.431636 (E_RNA)
where:
Base-Base interactions energy: -1725.594
where: short stacking energy: -734.062
Base-Backbone interact. energy: 0.178
local terms energy: -762.015756
where:
bonds (distance) C4'-P energy: -135.348
bonds (distance) P-C4' energy: -146.692
flat angles C4'-P-C4' energy: -155.301
flat angles P-C4'-P energy: -112.749
tors. eta vs tors. theta energy: -211.926
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: 6, replica: 3
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -2339.982153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.982153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.892870 (E_RNA)
where:
Base-Base interactions energy: -1649.298
where: short stacking energy: -678.669
Base-Backbone interact. energy: -1.244
local terms energy: -690.351554
where:
bonds (distance) C4'-P energy: -127.515
bonds (distance) P-C4' energy: -113.489
flat angles C4'-P-C4' energy: -162.263
flat angles P-C4'-P energy: -102.364
tors. eta vs tors. theta energy: -184.721
Dist. restrs. and SS energy: 0.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -2180.366497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.366497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.531523 (E_RNA)
where:
Base-Base interactions energy: -1493.509
where: short stacking energy: -649.389
Base-Backbone interact. energy: -1.576
local terms energy: -688.446817
where:
bonds (distance) C4'-P energy: -134.629
bonds (distance) P-C4' energy: -134.024
flat angles C4'-P-C4' energy: -156.369
flat angles P-C4'-P energy: -91.489
tors. eta vs tors. theta energy: -171.936
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: 8, replica: 4
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -2004.690307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.690307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.739660 (E_RNA)
where:
Base-Base interactions energy: -1355.448
where: short stacking energy: -566.382
Base-Backbone interact. energy: -0.183
local terms energy: -651.108351
where:
bonds (distance) C4'-P energy: -135.305
bonds (distance) P-C4' energy: -131.736
flat angles C4'-P-C4' energy: -153.896
flat angles P-C4'-P energy: -87.359
tors. eta vs tors. theta energy: -142.813
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: 9, replica: 5
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -1894.061730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.061730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.183595 (E_RNA)
where:
Base-Base interactions energy: -1309.228
where: short stacking energy: -539.917
Base-Backbone interact. energy: -2.490
local terms energy: -585.465777
where:
bonds (distance) C4'-P energy: -136.509
bonds (distance) P-C4' energy: -103.886
flat angles C4'-P-C4' energy: -141.472
flat angles P-C4'-P energy: -75.990
tors. eta vs tors. theta energy: -127.607
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: 8
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -1890.190478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.190478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.293862 (E_RNA)
where:
Base-Base interactions energy: -1257.698
where: short stacking energy: -530.419
Base-Backbone interact. energy: -2.686
local terms energy: -632.910132
where:
bonds (distance) C4'-P energy: -125.511
bonds (distance) P-C4' energy: -138.893
flat angles C4'-P-C4' energy: -150.866
flat angles P-C4'-P energy: -83.336
tors. eta vs tors. theta energy: -134.305
Dist. restrs. and SS energy: 3.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -2920.894039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2920.894039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2922.754936 (E_RNA)
where:
Base-Base interactions energy: -2031.046
where: short stacking energy: -833.438
Base-Backbone interact. energy: -2.633
local terms energy: -889.075308
where:
bonds (distance) C4'-P energy: -159.275
bonds (distance) P-C4' energy: -172.546
flat angles C4'-P-C4' energy: -180.730
flat angles P-C4'-P energy: -128.424
tors. eta vs tors. theta energy: -248.100
Dist. restrs. and SS energy: 1.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -2805.674623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.674623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.002655 (E_RNA)
where:
Base-Base interactions energy: -1938.235
where: short stacking energy: -862.035
Base-Backbone interact. energy: -1.875
local terms energy: -866.892180
where:
bonds (distance) C4'-P energy: -151.572
bonds (distance) P-C4' energy: -175.690
flat angles C4'-P-C4' energy: -177.696
flat angles P-C4'-P energy: -118.526
tors. eta vs tors. theta energy: -243.407
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: 2
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -2735.282312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.282312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.092291 (E_RNA)
where:
Base-Base interactions energy: -1922.511
where: short stacking energy: -839.097
Base-Backbone interact. energy: -3.614
local terms energy: -810.967522
where:
bonds (distance) C4'-P energy: -152.684
bonds (distance) P-C4' energy: -145.313
flat angles C4'-P-C4' energy: -164.895
flat angles P-C4'-P energy: -113.057
tors. eta vs tors. theta energy: -235.019
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: 10
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -2640.421640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.421640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.666555 (E_RNA)
where:
Base-Base interactions energy: -1817.236
where: short stacking energy: -735.030
Base-Backbone interact. energy: -3.593
local terms energy: -821.837635
where:
bonds (distance) C4'-P energy: -147.021
bonds (distance) P-C4' energy: -170.496
flat angles C4'-P-C4' energy: -168.919
flat angles P-C4'-P energy: -123.739
tors. eta vs tors. theta energy: -211.663
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: 5, replica: 1
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -2508.351464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.351464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.638695 (E_RNA)
where:
Base-Base interactions energy: -1731.618
where: short stacking energy: -730.699
Base-Backbone interact. energy: -3.256
local terms energy: -775.764761
where:
bonds (distance) C4'-P energy: -154.679
bonds (distance) P-C4' energy: -136.071
flat angles C4'-P-C4' energy: -162.576
flat angles P-C4'-P energy: -113.222
tors. eta vs tors. theta energy: -209.217
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: 6, replica: 3
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -2356.515715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.515715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.351376 (E_RNA)
where:
Base-Base interactions energy: -1642.936
where: short stacking energy: -689.737
Base-Backbone interact. energy: -2.603
local terms energy: -712.812145
where:
bonds (distance) C4'-P energy: -142.096
bonds (distance) P-C4' energy: -141.997
flat angles C4'-P-C4' energy: -156.751
flat angles P-C4'-P energy: -97.311
tors. eta vs tors. theta energy: -174.657
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: 6
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -2192.220748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.220748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.881718 (E_RNA)
where:
Base-Base interactions energy: -1522.898
where: short stacking energy: -633.590
Base-Backbone interact. energy: -2.403
local terms energy: -668.580059
where:
bonds (distance) C4'-P energy: -129.925
bonds (distance) P-C4' energy: -133.973
flat angles C4'-P-C4' energy: -155.912
flat angles P-C4'-P energy: -88.932
tors. eta vs tors. theta energy: -159.838
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: 8, replica: 4
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -2021.539275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.539275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.351828 (E_RNA)
where:
Base-Base interactions energy: -1394.792
where: short stacking energy: -589.188
Base-Backbone interact. energy: 1.966
local terms energy: -632.525802
where:
bonds (distance) C4'-P energy: -123.802
bonds (distance) P-C4' energy: -134.716
flat angles C4'-P-C4' energy: -137.711
flat angles P-C4'-P energy: -77.652
tors. eta vs tors. theta energy: -158.645
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: 9, replica: 5
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -1942.795278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.795278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.731819 (E_RNA)
where:
Base-Base interactions energy: -1322.477
where: short stacking energy: -557.698
Base-Backbone interact. energy: 6.817
local terms energy: -630.071756
where:
bonds (distance) C4'-P energy: -125.529
bonds (distance) P-C4' energy: -129.898
flat angles C4'-P-C4' energy: -130.479
flat angles P-C4'-P energy: -88.014
tors. eta vs tors. theta energy: -156.152
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: 8
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -1812.222139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.222139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.277061 (E_RNA)
where:
Base-Base interactions energy: -1208.866
where: short stacking energy: -491.329
Base-Backbone interact. energy: -2.332
local terms energy: -607.078274
where:
bonds (distance) C4'-P energy: -134.319
bonds (distance) P-C4' energy: -152.295
flat angles C4'-P-C4' energy: -119.259
flat angles P-C4'-P energy: -77.065
tors. eta vs tors. theta energy: -124.140
Dist. restrs. and SS energy: 6.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -2955.413470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2955.413470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2956.748388 (E_RNA)
where:
Base-Base interactions energy: -2039.179
where: short stacking energy: -844.638
Base-Backbone interact. energy: -1.715
local terms energy: -915.854461
where:
bonds (distance) C4'-P energy: -169.136
bonds (distance) P-C4' energy: -166.933
flat angles C4'-P-C4' energy: -200.215
flat angles P-C4'-P energy: -133.572
tors. eta vs tors. theta energy: -245.998
Dist. restrs. and SS energy: 1.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -2760.215463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2760.215463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.962491 (E_RNA)
where:
Base-Base interactions energy: -1899.948
where: short stacking energy: -794.579
Base-Backbone interact. energy: -3.725
local terms energy: -858.289879
where:
bonds (distance) C4'-P energy: -157.147
bonds (distance) P-C4' energy: -149.919
flat angles C4'-P-C4' energy: -183.868
flat angles P-C4'-P energy: -120.640
tors. eta vs tors. theta energy: -246.716
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: 3, replica: 9
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -2726.265668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.265668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.228608 (E_RNA)
where:
Base-Base interactions energy: -1862.176
where: short stacking energy: -799.956
Base-Backbone interact. energy: 3.295
local terms energy: -869.347987
where:
bonds (distance) C4'-P energy: -148.064
bonds (distance) P-C4' energy: -175.739
flat angles C4'-P-C4' energy: -177.456
flat angles P-C4'-P energy: -118.874
tors. eta vs tors. theta energy: -249.216
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: 4, replica: 10
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -2602.734310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.734310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.016639 (E_RNA)
where:
Base-Base interactions energy: -1822.714
where: short stacking energy: -764.419
Base-Backbone interact. energy: -1.369
local terms energy: -779.933648
where:
bonds (distance) C4'-P energy: -115.409
bonds (distance) P-C4' energy: -158.928
flat angles C4'-P-C4' energy: -177.591
flat angles P-C4'-P energy: -108.978
tors. eta vs tors. theta energy: -219.029
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: 5, replica: 1
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -2472.594802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.594802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.784494 (E_RNA)
where:
Base-Base interactions energy: -1748.190
where: short stacking energy: -747.646
Base-Backbone interact. energy: 6.648
local terms energy: -733.242936
where:
bonds (distance) C4'-P energy: -131.307
bonds (distance) P-C4' energy: -126.089
flat angles C4'-P-C4' energy: -158.539
flat angles P-C4'-P energy: -105.285
tors. eta vs tors. theta energy: -212.023
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: 3
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -2368.675967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.675967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.626389 (E_RNA)
where:
Base-Base interactions energy: -1621.947
where: short stacking energy: -682.693
Base-Backbone interact. energy: -1.376
local terms energy: -747.303407
where:
bonds (distance) C4'-P energy: -135.062
bonds (distance) P-C4' energy: -154.563
flat angles C4'-P-C4' energy: -172.427
flat angles P-C4'-P energy: -88.257
tors. eta vs tors. theta energy: -196.994
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: 7, replica: 6
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -2168.274641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.274641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.405214 (E_RNA)
where:
Base-Base interactions energy: -1479.324
where: short stacking energy: -609.882
Base-Backbone interact. energy: -1.179
local terms energy: -689.902949
where:
bonds (distance) C4'-P energy: -131.801
bonds (distance) P-C4' energy: -145.293
flat angles C4'-P-C4' energy: -148.873
flat angles P-C4'-P energy: -99.546
tors. eta vs tors. theta energy: -164.390
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: 4
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -2049.262719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.262719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.006213 (E_RNA)
where:
Base-Base interactions energy: -1377.854
where: short stacking energy: -574.444
Base-Backbone interact. energy: -4.392
local terms energy: -669.760756
where:
bonds (distance) C4'-P energy: -126.849
bonds (distance) P-C4' energy: -139.939
flat angles C4'-P-C4' energy: -157.745
flat angles P-C4'-P energy: -91.789
tors. eta vs tors. theta energy: -153.439
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: 9, replica: 5
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -1932.888747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.888747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.722870 (E_RNA)
where:
Base-Base interactions energy: -1317.154
where: short stacking energy: -544.853
Base-Backbone interact. energy: -1.460
local terms energy: -617.109273
where:
bonds (distance) C4'-P energy: -135.456
bonds (distance) P-C4' energy: -113.136
flat angles C4'-P-C4' energy: -129.081
flat angles P-C4'-P energy: -104.313
tors. eta vs tors. theta energy: -135.123
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: 10, replica: 8
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -1865.469904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.469904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.051102 (E_RNA)
where:
Base-Base interactions energy: -1296.571
where: short stacking energy: -531.219
Base-Backbone interact. energy: 2.294
local terms energy: -573.774485
where:
bonds (distance) C4'-P energy: -112.487
bonds (distance) P-C4' energy: -113.856
flat angles C4'-P-C4' energy: -130.212
flat angles P-C4'-P energy: -84.636
tors. eta vs tors. theta energy: -132.584
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: 1, replica: 7
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -2936.156408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2936.156408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2937.710516 (E_RNA)
where:
Base-Base interactions energy: -2050.666
where: short stacking energy: -849.968
Base-Backbone interact. energy: -1.545
local terms energy: -885.499797
where:
bonds (distance) C4'-P energy: -150.946
bonds (distance) P-C4' energy: -164.664
flat angles C4'-P-C4' energy: -193.439
flat angles P-C4'-P energy: -132.569
tors. eta vs tors. theta energy: -243.882
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: 2, replica: 2
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -2745.608599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.608599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.412044 (E_RNA)
where:
Base-Base interactions energy: -1895.573
where: short stacking energy: -814.757
Base-Backbone interact. energy: -2.596
local terms energy: -849.242522
where:
bonds (distance) C4'-P energy: -144.563
bonds (distance) P-C4' energy: -155.223
flat angles C4'-P-C4' energy: -171.275
flat angles P-C4'-P energy: -142.654
tors. eta vs tors. theta energy: -235.528
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: 3, replica: 9
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -2732.559035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.559035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.876953 (E_RNA)
where:
Base-Base interactions energy: -1870.518
where: short stacking energy: -798.113
Base-Backbone interact. energy: 6.670
local terms energy: -870.028648
where:
bonds (distance) C4'-P energy: -153.544
bonds (distance) P-C4' energy: -166.777
flat angles C4'-P-C4' energy: -176.515
flat angles P-C4'-P energy: -125.380
tors. eta vs tors. theta energy: -247.813
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: 4, replica: 10
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -2630.242993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.242993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.458332 (E_RNA)
where:
Base-Base interactions energy: -1852.381
where: short stacking energy: -765.355
Base-Backbone interact. energy: -5.302
local terms energy: -773.775471
where:
bonds (distance) C4'-P energy: -142.839
bonds (distance) P-C4' energy: -143.604
flat angles C4'-P-C4' energy: -164.337
flat angles P-C4'-P energy: -108.722
tors. eta vs tors. theta energy: -214.274
Dist. restrs. and SS energy: 1.215 (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: 1
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -2462.993705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.993705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.459487 (E_RNA)
where:
Base-Base interactions energy: -1710.733
where: short stacking energy: -719.562
Base-Backbone interact. energy: -3.373
local terms energy: -750.353652
where:
bonds (distance) C4'-P energy: -140.273
bonds (distance) P-C4' energy: -135.361
flat angles C4'-P-C4' energy: -167.556
flat angles P-C4'-P energy: -100.659
tors. eta vs tors. theta energy: -206.505
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: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -2377.545369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.545369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.387532 (E_RNA)
where:
Base-Base interactions energy: -1642.820
where: short stacking energy: -700.136
Base-Backbone interact. energy: -1.083
local terms energy: -735.484377
where:
bonds (distance) C4'-P energy: -129.786
bonds (distance) P-C4' energy: -150.330
flat angles C4'-P-C4' energy: -163.263
flat angles P-C4'-P energy: -111.172
tors. eta vs tors. theta energy: -180.933
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: 7, replica: 6
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -2175.875893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.875893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.110920 (E_RNA)
where:
Base-Base interactions energy: -1465.923
where: short stacking energy: -651.310
Base-Backbone interact. energy: -0.462
local terms energy: -713.725999
where:
bonds (distance) C4'-P energy: -134.557
bonds (distance) P-C4' energy: -143.987
flat angles C4'-P-C4' energy: -161.617
flat angles P-C4'-P energy: -100.313
tors. eta vs tors. theta energy: -173.253
Dist. restrs. and SS energy: 4.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -1985.806714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.806714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.278046 (E_RNA)
where:
Base-Base interactions energy: -1360.054
where: short stacking energy: -581.857
Base-Backbone interact. energy: 1.169
local terms energy: -630.392974
where:
bonds (distance) C4'-P energy: -125.037
bonds (distance) P-C4' energy: -126.197
flat angles C4'-P-C4' energy: -141.245
flat angles P-C4'-P energy: -82.006
tors. eta vs tors. theta energy: -155.909
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: 9, replica: 8
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -1949.705690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.705690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.123959 (E_RNA)
where:
Base-Base interactions energy: -1311.093
where: short stacking energy: -559.391
Base-Backbone interact. energy: 1.152
local terms energy: -643.182601
where:
bonds (distance) C4'-P energy: -128.786
bonds (distance) P-C4' energy: -131.076
flat angles C4'-P-C4' energy: -133.458
flat angles P-C4'-P energy: -95.854
tors. eta vs tors. theta energy: -154.008
Dist. restrs. and SS energy: 3.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -1888.471102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.471102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.579873 (E_RNA)
where:
Base-Base interactions energy: -1324.059
where: short stacking energy: -549.865
Base-Backbone interact. energy: 8.755
local terms energy: -575.276028
where:
bonds (distance) C4'-P energy: -114.282
bonds (distance) P-C4' energy: -111.579
flat angles C4'-P-C4' energy: -136.310
flat angles P-C4'-P energy: -73.993
tors. eta vs tors. theta energy: -139.113
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: 1, replica: 7
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -2969.561511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2969.561511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2970.612495 (E_RNA)
where:
Base-Base interactions energy: -2080.838
where: short stacking energy: -838.130
Base-Backbone interact. energy: 3.881
local terms energy: -893.655440
where:
bonds (distance) C4'-P energy: -162.037
bonds (distance) P-C4' energy: -157.882
flat angles C4'-P-C4' energy: -185.132
flat angles P-C4'-P energy: -139.861
tors. eta vs tors. theta energy: -248.743
Dist. restrs. and SS energy: 1.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -2771.978488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.978488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.388066 (E_RNA)
where:
Base-Base interactions energy: -1887.315
where: short stacking energy: -814.525
Base-Backbone interact. energy: -3.594
local terms energy: -882.479375
where:
bonds (distance) C4'-P energy: -170.175
bonds (distance) P-C4' energy: -154.238
flat angles C4'-P-C4' energy: -187.866
flat angles P-C4'-P energy: -125.121
tors. eta vs tors. theta energy: -245.079
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: 3, replica: 9
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -2759.704235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.704235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.598778 (E_RNA)
where:
Base-Base interactions energy: -1928.691
where: short stacking energy: -833.302
Base-Backbone interact. energy: -1.496
local terms energy: -832.411356
where:
bonds (distance) C4'-P energy: -147.111
bonds (distance) P-C4' energy: -149.446
flat angles C4'-P-C4' energy: -175.186
flat angles P-C4'-P energy: -115.580
tors. eta vs tors. theta energy: -245.088
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: 4, replica: 10
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -2594.743942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.743942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.992734 (E_RNA)
where:
Base-Base interactions energy: -1812.939
where: short stacking energy: -752.489
Base-Backbone interact. energy: 5.059
local terms energy: -789.113511
where:
bonds (distance) C4'-P energy: -138.418
bonds (distance) P-C4' energy: -156.111
flat angles C4'-P-C4' energy: -155.855
flat angles P-C4'-P energy: -128.261
tors. eta vs tors. theta energy: -210.468
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: 5, replica: 1
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -2460.709913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.709913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.320152 (E_RNA)
where:
Base-Base interactions energy: -1671.435
where: short stacking energy: -703.281
Base-Backbone interact. energy: -3.325
local terms energy: -789.561043
where:
bonds (distance) C4'-P energy: -142.005
bonds (distance) P-C4' energy: -159.064
flat angles C4'-P-C4' energy: -163.538
flat angles P-C4'-P energy: -116.056
tors. eta vs tors. theta energy: -208.898
Dist. restrs. and SS energy: 3.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -2345.179951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.179951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.369559 (E_RNA)
where:
Base-Base interactions energy: -1607.345
where: short stacking energy: -697.239
Base-Backbone interact. energy: -1.344
local terms energy: -738.680201
where:
bonds (distance) C4'-P energy: -157.370
bonds (distance) P-C4' energy: -143.881
flat angles C4'-P-C4' energy: -152.943
flat angles P-C4'-P energy: -99.469
tors. eta vs tors. theta energy: -185.017
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: 7, replica: 6
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -2289.728439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.728439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.032032 (E_RNA)
where:
Base-Base interactions energy: -1561.860
where: short stacking energy: -677.937
Base-Backbone interact. energy: -1.962
local terms energy: -728.210296
where:
bonds (distance) C4'-P energy: -144.258
bonds (distance) P-C4' energy: -126.995
flat angles C4'-P-C4' energy: -159.459
flat angles P-C4'-P energy: -118.242
tors. eta vs tors. theta energy: -179.257
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: 8, replica: 8
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -2032.410295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.410295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.910787 (E_RNA)
where:
Base-Base interactions energy: -1382.077
where: short stacking energy: -593.709
Base-Backbone interact. energy: 2.723
local terms energy: -656.556810
where:
bonds (distance) C4'-P energy: -118.267
bonds (distance) P-C4' energy: -137.545
flat angles C4'-P-C4' energy: -144.346
flat angles P-C4'-P energy: -100.643
tors. eta vs tors. theta energy: -155.755
Dist. restrs. and SS energy: 3.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -1950.344495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.344495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.584922 (E_RNA)
where:
Base-Base interactions energy: -1345.842
where: short stacking energy: -579.317
Base-Backbone interact. energy: 3.205
local terms energy: -609.948395
where:
bonds (distance) C4'-P energy: -99.610
bonds (distance) P-C4' energy: -134.669
flat angles C4'-P-C4' energy: -139.409
flat angles P-C4'-P energy: -95.346
tors. eta vs tors. theta energy: -140.914
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: 10, replica: 5
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -1900.850576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.850576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.712033 (E_RNA)
where:
Base-Base interactions energy: -1285.629
where: short stacking energy: -537.511
Base-Backbone interact. energy: -0.127
local terms energy: -616.955323
where:
bonds (distance) C4'-P energy: -125.794
bonds (distance) P-C4' energy: -130.638
flat angles C4'-P-C4' energy: -146.012
flat angles P-C4'-P energy: -77.696
tors. eta vs tors. theta energy: -136.815
Dist. restrs. and SS energy: 1.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -2914.967126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2914.967126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2916.580651 (E_RNA)
where:
Base-Base interactions energy: -2050.348
where: short stacking energy: -824.427
Base-Backbone interact. energy: -5.547
local terms energy: -860.685262
where:
bonds (distance) C4'-P energy: -171.389
bonds (distance) P-C4' energy: -135.377
flat angles C4'-P-C4' energy: -189.996
flat angles P-C4'-P energy: -118.604
tors. eta vs tors. theta energy: -245.319
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: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -2818.204801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.204801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.752361 (E_RNA)
where:
Base-Base interactions energy: -1940.528
where: short stacking energy: -813.508
Base-Backbone interact. energy: 1.299
local terms energy: -880.522741
where:
bonds (distance) C4'-P energy: -163.000
bonds (distance) P-C4' energy: -162.805
flat angles C4'-P-C4' energy: -187.529
flat angles P-C4'-P energy: -114.970
tors. eta vs tors. theta energy: -252.218
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: 9
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -2710.787309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.787309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.445471 (E_RNA)
where:
Base-Base interactions energy: -1891.740
where: short stacking energy: -800.185
Base-Backbone interact. energy: 1.219
local terms energy: -821.924403
where:
bonds (distance) C4'-P energy: -134.517
bonds (distance) P-C4' energy: -157.128
flat angles C4'-P-C4' energy: -174.980
flat angles P-C4'-P energy: -124.622
tors. eta vs tors. theta energy: -230.677
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: 4, replica: 10
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -2601.900060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.900060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.352782 (E_RNA)
where:
Base-Base interactions energy: -1825.229
where: short stacking energy: -771.334
Base-Backbone interact. energy: 2.318
local terms energy: -781.441747
where:
bonds (distance) C4'-P energy: -128.956
bonds (distance) P-C4' energy: -142.133
flat angles C4'-P-C4' energy: -170.059
flat angles P-C4'-P energy: -122.159
tors. eta vs tors. theta energy: -218.135
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: 1
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -2503.933129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.933129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.638036 (E_RNA)
where:
Base-Base interactions energy: -1725.910
where: short stacking energy: -721.966
Base-Backbone interact. energy: -2.304
local terms energy: -778.424138
where:
bonds (distance) C4'-P energy: -155.426
bonds (distance) P-C4' energy: -132.684
flat angles C4'-P-C4' energy: -176.370
flat angles P-C4'-P energy: -105.312
tors. eta vs tors. theta energy: -208.631
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: 6, replica: 3
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -2322.708836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.708836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.549361 (E_RNA)
where:
Base-Base interactions energy: -1589.152
where: short stacking energy: -683.265
Base-Backbone interact. energy: -1.667
local terms energy: -736.730467
where:
bonds (distance) C4'-P energy: -140.042
bonds (distance) P-C4' energy: -154.629
flat angles C4'-P-C4' energy: -162.077
flat angles P-C4'-P energy: -90.094
tors. eta vs tors. theta energy: -189.890
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: 7, replica: 6
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -2230.895096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.895096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.544904 (E_RNA)
where:
Base-Base interactions energy: -1528.949
where: short stacking energy: -631.524
Base-Backbone interact. energy: -1.634
local terms energy: -702.961980
where:
bonds (distance) C4'-P energy: -131.327
bonds (distance) P-C4' energy: -141.808
flat angles C4'-P-C4' energy: -156.382
flat angles P-C4'-P energy: -96.400
tors. eta vs tors. theta energy: -177.045
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: 8
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -2060.276852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.276852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.322684 (E_RNA)
where:
Base-Base interactions energy: -1403.824
where: short stacking energy: -605.300
Base-Backbone interact. energy: -2.615
local terms energy: -655.883040
where:
bonds (distance) C4'-P energy: -135.701
bonds (distance) P-C4' energy: -133.930
flat angles C4'-P-C4' energy: -144.592
flat angles P-C4'-P energy: -84.601
tors. eta vs tors. theta energy: -157.059
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: 4
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -1943.663134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.663134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.973806 (E_RNA)
where:
Base-Base interactions energy: -1324.422
where: short stacking energy: -561.524
Base-Backbone interact. energy: 4.127
local terms energy: -626.678409
where:
bonds (distance) C4'-P energy: -130.679
bonds (distance) P-C4' energy: -131.065
flat angles C4'-P-C4' energy: -125.588
flat angles P-C4'-P energy: -91.197
tors. eta vs tors. theta energy: -148.149
Dist. restrs. and SS energy: 3.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -1881.023403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.023403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.379155 (E_RNA)
where:
Base-Base interactions energy: -1289.712
where: short stacking energy: -537.557
Base-Backbone interact. energy: 0.599
local terms energy: -595.266823
where:
bonds (distance) C4'-P energy: -145.741
bonds (distance) P-C4' energy: -124.884
flat angles C4'-P-C4' energy: -122.026
flat angles P-C4'-P energy: -72.635
tors. eta vs tors. theta energy: -129.981
Dist. restrs. and SS energy: 3.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -2947.794151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2947.794151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2949.388211 (E_RNA)
where:
Base-Base interactions energy: -2050.559
where: short stacking energy: -842.306
Base-Backbone interact. energy: 0.086
local terms energy: -898.915884
where:
bonds (distance) C4'-P energy: -169.702
bonds (distance) P-C4' energy: -161.308
flat angles C4'-P-C4' energy: -191.244
flat angles P-C4'-P energy: -120.294
tors. eta vs tors. theta energy: -256.368
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: 2
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -2809.545463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.545463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.544617 (E_RNA)
where:
Base-Base interactions energy: -1948.070
where: short stacking energy: -812.945
Base-Backbone interact. energy: -3.920
local terms energy: -859.554894
where:
bonds (distance) C4'-P energy: -179.140
bonds (distance) P-C4' energy: -141.691
flat angles C4'-P-C4' energy: -180.046
flat angles P-C4'-P energy: -115.521
tors. eta vs tors. theta energy: -243.157
Dist. restrs. and SS energy: 1.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -2722.336392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.336392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.280078 (E_RNA)
where:
Base-Base interactions energy: -1871.246
where: short stacking energy: -815.138
Base-Backbone interact. energy: 0.158
local terms energy: -852.192282
where:
bonds (distance) C4'-P energy: -163.109
bonds (distance) P-C4' energy: -147.026
flat angles C4'-P-C4' energy: -176.642
flat angles P-C4'-P energy: -115.277
tors. eta vs tors. theta energy: -250.138
Dist. restrs. and SS energy: 0.944 (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: 10
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -2587.545338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.545338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.881032 (E_RNA)
where:
Base-Base interactions energy: -1784.877
where: short stacking energy: -752.027
Base-Backbone interact. energy: -1.716
local terms energy: -802.287930
where:
bonds (distance) C4'-P energy: -142.997
bonds (distance) P-C4' energy: -154.486
flat angles C4'-P-C4' energy: -189.612
flat angles P-C4'-P energy: -115.727
tors. eta vs tors. theta energy: -199.466
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: 5, replica: 1
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -2487.293493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.293493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.890580 (E_RNA)
where:
Base-Base interactions energy: -1710.716
where: short stacking energy: -723.681
Base-Backbone interact. energy: 1.014
local terms energy: -780.188873
where:
bonds (distance) C4'-P energy: -136.315
bonds (distance) P-C4' energy: -158.065
flat angles C4'-P-C4' energy: -167.803
flat angles P-C4'-P energy: -105.964
tors. eta vs tors. theta energy: -212.042
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: 6, replica: 3
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -2374.328518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.328518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.552410 (E_RNA)
where:
Base-Base interactions energy: -1623.894
where: short stacking energy: -685.780
Base-Backbone interact. energy: -1.289
local terms energy: -751.369436
where:
bonds (distance) C4'-P energy: -159.480
bonds (distance) P-C4' energy: -145.132
flat angles C4'-P-C4' energy: -169.442
flat angles P-C4'-P energy: -98.471
tors. eta vs tors. theta energy: -178.845
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: 7, replica: 6
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -2178.006581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.006581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.528440 (E_RNA)
where:
Base-Base interactions energy: -1483.208
where: short stacking energy: -637.051
Base-Backbone interact. energy: 0.797
local terms energy: -698.117929
where:
bonds (distance) C4'-P energy: -114.448
bonds (distance) P-C4' energy: -142.197
flat angles C4'-P-C4' energy: -173.089
flat angles P-C4'-P energy: -100.638
tors. eta vs tors. theta energy: -167.747
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: 8, replica: 8
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -2045.240716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.240716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.167806 (E_RNA)
where:
Base-Base interactions energy: -1364.866
where: short stacking energy: -551.695
Base-Backbone interact. energy: -0.290
local terms energy: -683.011967
where:
bonds (distance) C4'-P energy: -137.769
bonds (distance) P-C4' energy: -154.666
flat angles C4'-P-C4' energy: -155.518
flat angles P-C4'-P energy: -82.044
tors. eta vs tors. theta energy: -153.015
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: 9, replica: 4
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -1927.162824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.162824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.292730 (E_RNA)
where:
Base-Base interactions energy: -1294.887
where: short stacking energy: -532.475
Base-Backbone interact. energy: 2.841
local terms energy: -639.246705
where:
bonds (distance) C4'-P energy: -125.132
bonds (distance) P-C4' energy: -144.696
flat angles C4'-P-C4' energy: -142.826
flat angles P-C4'-P energy: -85.394
tors. eta vs tors. theta energy: -141.198
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: 10, replica: 5
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -1868.875817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.875817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.407622 (E_RNA)
where:
Base-Base interactions energy: -1293.650
where: short stacking energy: -510.096
Base-Backbone interact. energy: 0.401
local terms energy: -578.157923
where:
bonds (distance) C4'-P energy: -132.496
bonds (distance) P-C4' energy: -118.333
flat angles C4'-P-C4' energy: -118.570
flat angles P-C4'-P energy: -89.594
tors. eta vs tors. theta energy: -119.165
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: 1, replica: 7
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -2922.146830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2922.146830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2923.526188 (E_RNA)
where:
Base-Base interactions energy: -2035.967
where: short stacking energy: -848.697
Base-Backbone interact. energy: 0.680
local terms energy: -888.239330
where:
bonds (distance) C4'-P energy: -158.887
bonds (distance) P-C4' energy: -154.803
flat angles C4'-P-C4' energy: -194.358
flat angles P-C4'-P energy: -130.795
tors. eta vs tors. theta energy: -249.396
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: 2, replica: 2
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -2791.265125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.265125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.393156 (E_RNA)
where:
Base-Base interactions energy: -1957.600
where: short stacking energy: -841.432
Base-Backbone interact. energy: 3.197
local terms energy: -837.990656
where:
bonds (distance) C4'-P energy: -151.942
bonds (distance) P-C4' energy: -158.109
flat angles C4'-P-C4' energy: -180.370
flat angles P-C4'-P energy: -107.630
tors. eta vs tors. theta energy: -239.940
Dist. restrs. and SS energy: 1.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -2652.135018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.135018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.682881 (E_RNA)
where:
Base-Base interactions energy: -1835.470
where: short stacking energy: -745.070
Base-Backbone interact. energy: -2.528
local terms energy: -816.685049
where:
bonds (distance) C4'-P energy: -141.102
bonds (distance) P-C4' energy: -163.776
flat angles C4'-P-C4' energy: -172.739
flat angles P-C4'-P energy: -119.849
tors. eta vs tors. theta energy: -219.219
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: 9
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -2679.342103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.342103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.677376 (E_RNA)
where:
Base-Base interactions energy: -1862.832
where: short stacking energy: -811.183
Base-Backbone interact. energy: 0.856
local terms energy: -819.701717
where:
bonds (distance) C4'-P energy: -143.877
bonds (distance) P-C4' energy: -146.583
flat angles C4'-P-C4' energy: -171.007
flat angles P-C4'-P energy: -118.041
tors. eta vs tors. theta energy: -240.193
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: 5, replica: 1
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -2425.310019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.310019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.595459 (E_RNA)
where:
Base-Base interactions energy: -1684.108
where: short stacking energy: -686.968
Base-Backbone interact. energy: -4.914
local terms energy: -738.574048
where:
bonds (distance) C4'-P energy: -132.743
bonds (distance) P-C4' energy: -142.023
flat angles C4'-P-C4' energy: -162.439
flat angles P-C4'-P energy: -102.659
tors. eta vs tors. theta energy: -198.709
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: 6, replica: 3
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -2401.134237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.134237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.876600 (E_RNA)
where:
Base-Base interactions energy: -1655.436
where: short stacking energy: -695.807
Base-Backbone interact. energy: -0.766
local terms energy: -747.675338
where:
bonds (distance) C4'-P energy: -141.628
bonds (distance) P-C4' energy: -140.227
flat angles C4'-P-C4' energy: -163.007
flat angles P-C4'-P energy: -107.617
tors. eta vs tors. theta energy: -195.196
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: 7, replica: 6
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -2218.707644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.707644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.073003 (E_RNA)
where:
Base-Base interactions energy: -1522.258
where: short stacking energy: -613.256
Base-Backbone interact. energy: 1.803
local terms energy: -700.617598
where:
bonds (distance) C4'-P energy: -132.916
bonds (distance) P-C4' energy: -145.326
flat angles C4'-P-C4' energy: -140.500
flat angles P-C4'-P energy: -110.225
tors. eta vs tors. theta energy: -171.650
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: 8, replica: 8
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -2052.264648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.264648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.272661 (E_RNA)
where:
Base-Base interactions energy: -1401.980
where: short stacking energy: -578.203
Base-Backbone interact. energy: -3.379
local terms energy: -648.913643
where:
bonds (distance) C4'-P energy: -136.153
bonds (distance) P-C4' energy: -126.795
flat angles C4'-P-C4' energy: -140.948
flat angles P-C4'-P energy: -89.481
tors. eta vs tors. theta energy: -155.538
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: 4
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -1917.389652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.389652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.453444 (E_RNA)
where:
Base-Base interactions energy: -1278.841
where: short stacking energy: -535.533
Base-Backbone interact. energy: 0.556
local terms energy: -642.167933
where:
bonds (distance) C4'-P energy: -139.694
bonds (distance) P-C4' energy: -123.312
flat angles C4'-P-C4' energy: -145.295
flat angles P-C4'-P energy: -97.919
tors. eta vs tors. theta energy: -135.948
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: 10, replica: 5
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -1904.144386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.144386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.088648 (E_RNA)
where:
Base-Base interactions energy: -1288.871
where: short stacking energy: -542.550
Base-Backbone interact. energy: 1.855
local terms energy: -620.072981
where:
bonds (distance) C4'-P energy: -131.760
bonds (distance) P-C4' energy: -122.425
flat angles C4'-P-C4' energy: -142.942
flat angles P-C4'-P energy: -83.063
tors. eta vs tors. theta energy: -139.884
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: 1, replica: 7
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -2920.686877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2920.686877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2921.978914 (E_RNA)
where:
Base-Base interactions energy: -2047.083
where: short stacking energy: -864.106
Base-Backbone interact. energy: 2.320
local terms energy: -877.216172
where:
bonds (distance) C4'-P energy: -165.022
bonds (distance) P-C4' energy: -156.825
flat angles C4'-P-C4' energy: -187.598
flat angles P-C4'-P energy: -110.852
tors. eta vs tors. theta energy: -256.919
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: 2, replica: 2
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -2775.274610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.274610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.157453 (E_RNA)
where:
Base-Base interactions energy: -1951.803
where: short stacking energy: -829.008
Base-Backbone interact. energy: 2.617
local terms energy: -826.971495
where:
bonds (distance) C4'-P energy: -146.715
bonds (distance) P-C4' energy: -153.338
flat angles C4'-P-C4' energy: -175.640
flat angles P-C4'-P energy: -118.172
tors. eta vs tors. theta energy: -233.107
Dist. restrs. and SS energy: 0.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -2701.056288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.056288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.989684 (E_RNA)
where:
Base-Base interactions energy: -1857.696
where: short stacking energy: -771.616
Base-Backbone interact. energy: -1.844
local terms energy: -843.449563
where:
bonds (distance) C4'-P energy: -152.316
bonds (distance) P-C4' energy: -153.569
flat angles C4'-P-C4' energy: -188.062
flat angles P-C4'-P energy: -128.159
tors. eta vs tors. theta energy: -221.343
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: 4, replica: 9
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -2655.533398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.533398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.577869 (E_RNA)
where:
Base-Base interactions energy: -1826.777
where: short stacking energy: -758.311
Base-Backbone interact. energy: -2.332
local terms energy: -828.468909
where:
bonds (distance) C4'-P energy: -155.358
bonds (distance) P-C4' energy: -142.736
flat angles C4'-P-C4' energy: -168.726
flat angles P-C4'-P energy: -119.988
tors. eta vs tors. theta energy: -241.660
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: 5, replica: 1
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -2476.121466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.121466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.397407 (E_RNA)
where:
Base-Base interactions energy: -1721.495
where: short stacking energy: -737.458
Base-Backbone interact. energy: -2.213
local terms energy: -754.689659
where:
bonds (distance) C4'-P energy: -144.390
bonds (distance) P-C4' energy: -135.450
flat angles C4'-P-C4' energy: -155.551
flat angles P-C4'-P energy: -109.035
tors. eta vs tors. theta energy: -210.264
Dist. restrs. and SS energy: 2.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -2342.818534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.818534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.575692 (E_RNA)
where:
Base-Base interactions energy: -1636.116
where: short stacking energy: -662.123
Base-Backbone interact. energy: 2.387
local terms energy: -710.847015
where:
bonds (distance) C4'-P energy: -142.645
bonds (distance) P-C4' energy: -117.161
flat angles C4'-P-C4' energy: -163.844
flat angles P-C4'-P energy: -110.851
tors. eta vs tors. theta energy: -176.346
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: 7, replica: 6
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -2198.070299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.070299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.199489 (E_RNA)
where:
Base-Base interactions energy: -1486.732
where: short stacking energy: -638.893
Base-Backbone interact. energy: -1.971
local terms energy: -712.496298
where:
bonds (distance) C4'-P energy: -131.605
bonds (distance) P-C4' energy: -131.925
flat angles C4'-P-C4' energy: -170.389
flat angles P-C4'-P energy: -102.699
tors. eta vs tors. theta energy: -175.877
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: 8, replica: 8
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -2070.868287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.868287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.868966 (E_RNA)
where:
Base-Base interactions energy: -1385.533
where: short stacking energy: -597.589
Base-Backbone interact. energy: 9.094
local terms energy: -696.430443
where:
bonds (distance) C4'-P energy: -138.160
bonds (distance) P-C4' energy: -133.138
flat angles C4'-P-C4' energy: -162.069
flat angles P-C4'-P energy: -85.199
tors. eta vs tors. theta energy: -177.864
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: 9, replica: 4
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -1927.188914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.188914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.836264 (E_RNA)
where:
Base-Base interactions energy: -1299.173
where: short stacking energy: -539.454
Base-Backbone interact. energy: -1.601
local terms energy: -629.062885
where:
bonds (distance) C4'-P energy: -127.553
bonds (distance) P-C4' energy: -135.956
flat angles C4'-P-C4' energy: -128.205
flat angles P-C4'-P energy: -97.437
tors. eta vs tors. theta energy: -139.912
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: 5
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -1875.667811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.667811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.728247 (E_RNA)
where:
Base-Base interactions energy: -1271.402
where: short stacking energy: -504.699
Base-Backbone interact. energy: -5.309
local terms energy: -601.017501
where:
bonds (distance) C4'-P energy: -126.948
bonds (distance) P-C4' energy: -123.950
flat angles C4'-P-C4' energy: -140.400
flat angles P-C4'-P energy: -85.414
tors. eta vs tors. theta energy: -124.305
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: 1, replica: 7
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -2927.947593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2927.947593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2928.795751 (E_RNA)
where:
Base-Base interactions energy: -2035.044
where: short stacking energy: -824.497
Base-Backbone interact. energy: -1.655
local terms energy: -892.097010
where:
bonds (distance) C4'-P energy: -175.422
bonds (distance) P-C4' energy: -163.976
flat angles C4'-P-C4' energy: -190.788
flat angles P-C4'-P energy: -125.817
tors. eta vs tors. theta energy: -236.094
Dist. restrs. and SS energy: 0.848 (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: 2
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -2793.741633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.741633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.060553 (E_RNA)
where:
Base-Base interactions energy: -1913.484
where: short stacking energy: -826.363
Base-Backbone interact. energy: 0.571
local terms energy: -882.147090
where:
bonds (distance) C4'-P energy: -166.136
bonds (distance) P-C4' energy: -156.451
flat angles C4'-P-C4' energy: -197.589
flat angles P-C4'-P energy: -125.551
tors. eta vs tors. theta energy: -236.420
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: 10
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -2718.878423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.878423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.103502 (E_RNA)
where:
Base-Base interactions energy: -1861.579
where: short stacking energy: -758.357
Base-Backbone interact. energy: -1.807
local terms energy: -857.717855
where:
bonds (distance) C4'-P energy: -163.980
bonds (distance) P-C4' energy: -166.113
flat angles C4'-P-C4' energy: -184.192
flat angles P-C4'-P energy: -114.082
tors. eta vs tors. theta energy: -229.351
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: 4, replica: 9
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -2634.677775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.677775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.532799 (E_RNA)
where:
Base-Base interactions energy: -1831.287
where: short stacking energy: -792.131
Base-Backbone interact. energy: 0.340
local terms energy: -805.585593
where:
bonds (distance) C4'-P energy: -142.248
bonds (distance) P-C4' energy: -143.159
flat angles C4'-P-C4' energy: -174.060
flat angles P-C4'-P energy: -113.741
tors. eta vs tors. theta energy: -232.378
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: 5, replica: 1
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -2491.974571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.974571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.352461 (E_RNA)
where:
Base-Base interactions energy: -1720.398
where: short stacking energy: -743.721
Base-Backbone interact. energy: 1.380
local terms energy: -775.334592
where:
bonds (distance) C4'-P energy: -156.904
bonds (distance) P-C4' energy: -127.082
flat angles C4'-P-C4' energy: -156.960
flat angles P-C4'-P energy: -113.867
tors. eta vs tors. theta energy: -220.522
Dist. restrs. and SS energy: 2.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -2374.753815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.753815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.845865 (E_RNA)
where:
Base-Base interactions energy: -1620.344
where: short stacking energy: -689.211
Base-Backbone interact. energy: 5.704
local terms energy: -763.206394
where:
bonds (distance) C4'-P energy: -135.150
bonds (distance) P-C4' energy: -145.520
flat angles C4'-P-C4' energy: -174.910
flat angles P-C4'-P energy: -117.068
tors. eta vs tors. theta energy: -190.559
Dist. restrs. and SS energy: 3.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -2159.987170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.987170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.510959 (E_RNA)
where:
Base-Base interactions energy: -1438.630
where: short stacking energy: -611.132
Base-Backbone interact. energy: -3.056
local terms energy: -719.824812
where:
bonds (distance) C4'-P energy: -112.108
bonds (distance) P-C4' energy: -158.153
flat angles C4'-P-C4' energy: -158.573
flat angles P-C4'-P energy: -114.712
tors. eta vs tors. theta energy: -176.279
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: 8, replica: 8
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -2058.881216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.881216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.323281 (E_RNA)
where:
Base-Base interactions energy: -1405.101
where: short stacking energy: -574.014
Base-Backbone interact. energy: -2.688
local terms energy: -652.534398
where:
bonds (distance) C4'-P energy: -138.571
bonds (distance) P-C4' energy: -122.763
flat angles C4'-P-C4' energy: -154.855
flat angles P-C4'-P energy: -87.282
tors. eta vs tors. theta energy: -149.063
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: 9, replica: 4
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -1933.470969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.470969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.418922 (E_RNA)
where:
Base-Base interactions energy: -1323.073
where: short stacking energy: -554.098
Base-Backbone interact. energy: 1.320
local terms energy: -615.665668
where:
bonds (distance) C4'-P energy: -111.017
bonds (distance) P-C4' energy: -136.668
flat angles C4'-P-C4' energy: -121.563
flat angles P-C4'-P energy: -108.888
tors. eta vs tors. theta energy: -137.530
Dist. restrs. and SS energy: 3.948 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -1847.178499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.178499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.049770 (E_RNA)
where:
Base-Base interactions energy: -1235.463
where: short stacking energy: -512.749
Base-Backbone interact. energy: -0.029
local terms energy: -616.558244
where:
bonds (distance) C4'-P energy: -134.742
bonds (distance) P-C4' energy: -139.743
flat angles C4'-P-C4' energy: -122.466
flat angles P-C4'-P energy: -82.980
tors. eta vs tors. theta energy: -136.627
Dist. restrs. and SS energy: 4.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -2937.156813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2937.156813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2939.651797 (E_RNA)
where:
Base-Base interactions energy: -2054.189
where: short stacking energy: -828.598
Base-Backbone interact. energy: 2.914
local terms energy: -888.377422
where:
bonds (distance) C4'-P energy: -163.518
bonds (distance) P-C4' energy: -171.433
flat angles C4'-P-C4' energy: -187.487
flat angles P-C4'-P energy: -116.172
tors. eta vs tors. theta energy: -249.767
Dist. restrs. and SS energy: 2.495 (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: 2
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -2810.589974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.589974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.971906 (E_RNA)
where:
Base-Base interactions energy: -1954.545
where: short stacking energy: -805.606
Base-Backbone interact. energy: -0.595
local terms energy: -856.831643
where:
bonds (distance) C4'-P energy: -157.717
bonds (distance) P-C4' energy: -151.565
flat angles C4'-P-C4' energy: -180.358
flat angles P-C4'-P energy: -127.448
tors. eta vs tors. theta energy: -239.743
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: 10
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -2722.598316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.598316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.441926 (E_RNA)
where:
Base-Base interactions energy: -1877.072
where: short stacking energy: -780.509
Base-Backbone interact. energy: -0.767
local terms energy: -846.602679
where:
bonds (distance) C4'-P energy: -155.476
bonds (distance) P-C4' energy: -158.650
flat angles C4'-P-C4' energy: -185.052
flat angles P-C4'-P energy: -125.979
tors. eta vs tors. theta energy: -221.446
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: 9
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -2615.336722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.336722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.571936 (E_RNA)
where:
Base-Base interactions energy: -1815.477
where: short stacking energy: -768.994
Base-Backbone interact. energy: 0.942
local terms energy: -803.036673
where:
bonds (distance) C4'-P energy: -139.213
bonds (distance) P-C4' energy: -142.768
flat angles C4'-P-C4' energy: -166.552
flat angles P-C4'-P energy: -115.017
tors. eta vs tors. theta energy: -239.487
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: 5, replica: 1
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -2428.523371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.523371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.514249 (E_RNA)
where:
Base-Base interactions energy: -1627.621
where: short stacking energy: -710.562
Base-Backbone interact. energy: 4.390
local terms energy: -807.283393
where:
bonds (distance) C4'-P energy: -151.846
bonds (distance) P-C4' energy: -150.740
flat angles C4'-P-C4' energy: -169.202
flat angles P-C4'-P energy: -126.477
tors. eta vs tors. theta energy: -209.019
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: 6, replica: 3
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -2398.954881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.954881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.396196 (E_RNA)
where:
Base-Base interactions energy: -1645.374
where: short stacking energy: -686.230
Base-Backbone interact. energy: -2.498
local terms energy: -752.524268
where:
bonds (distance) C4'-P energy: -120.294
bonds (distance) P-C4' energy: -142.507
flat angles C4'-P-C4' energy: -162.463
flat angles P-C4'-P energy: -118.631
tors. eta vs tors. theta energy: -208.630
Dist. restrs. and SS energy: 1.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -2160.486003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.486003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.914088 (E_RNA)
where:
Base-Base interactions energy: -1454.460
where: short stacking energy: -620.149
Base-Backbone interact. energy: 4.357
local terms energy: -711.810799
where:
bonds (distance) C4'-P energy: -144.736
bonds (distance) P-C4' energy: -129.493
flat angles C4'-P-C4' energy: -161.139
flat angles P-C4'-P energy: -104.770
tors. eta vs tors. theta energy: -171.673
Dist. restrs. and SS energy: 1.428 (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: 8
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -2021.178000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.178000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.553895 (E_RNA)
where:
Base-Base interactions energy: -1397.971
where: short stacking energy: -595.033
Base-Backbone interact. energy: 0.065
local terms energy: -625.648069
where:
bonds (distance) C4'-P energy: -125.986
bonds (distance) P-C4' energy: -134.758
flat angles C4'-P-C4' energy: -123.488
flat angles P-C4'-P energy: -85.876
tors. eta vs tors. theta energy: -155.539
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: 9, replica: 4
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -1871.570759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.570759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.331092 (E_RNA)
where:
Base-Base interactions energy: -1292.826
where: short stacking energy: -543.616
Base-Backbone interact. energy: -1.710
local terms energy: -580.795295
where:
bonds (distance) C4'-P energy: -101.768
bonds (distance) P-C4' energy: -119.073
flat angles C4'-P-C4' energy: -142.506
flat angles P-C4'-P energy: -77.687
tors. eta vs tors. theta energy: -139.761
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: 10, replica: 5
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -1883.128106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.128106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.927541 (E_RNA)
where:
Base-Base interactions energy: -1249.857
where: short stacking energy: -538.573
Base-Backbone interact. energy: 1.350
local terms energy: -639.420506
where:
bonds (distance) C4'-P energy: -126.458
bonds (distance) P-C4' energy: -133.633
flat angles C4'-P-C4' energy: -144.166
flat angles P-C4'-P energy: -96.208
tors. eta vs tors. theta energy: -138.956
Dist. restrs. and SS energy: 4.799 (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: 7
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -2911.144701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2911.144701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2912.547282 (E_RNA)
where:
Base-Base interactions energy: -2055.579
where: short stacking energy: -847.756
Base-Backbone interact. energy: 4.446
local terms energy: -861.414385
where:
bonds (distance) C4'-P energy: -141.508
bonds (distance) P-C4' energy: -163.606
flat angles C4'-P-C4' energy: -198.515
flat angles P-C4'-P energy: -117.842
tors. eta vs tors. theta energy: -239.943
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: 2, replica: 2
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -2803.902059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.902059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.757749 (E_RNA)
where:
Base-Base interactions energy: -1932.034
where: short stacking energy: -816.065
Base-Backbone interact. energy: -2.039
local terms energy: -872.684564
where:
bonds (distance) C4'-P energy: -161.705
bonds (distance) P-C4' energy: -168.418
flat angles C4'-P-C4' energy: -188.662
flat angles P-C4'-P energy: -121.357
tors. eta vs tors. theta energy: -232.542
Dist. restrs. and SS energy: 2.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -2698.126648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.126648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.692774 (E_RNA)
where:
Base-Base interactions energy: -1898.009
where: short stacking energy: -778.829
Base-Backbone interact. energy: -2.839
local terms energy: -798.844462
where:
bonds (distance) C4'-P energy: -153.296
bonds (distance) P-C4' energy: -134.598
flat angles C4'-P-C4' energy: -181.034
flat angles P-C4'-P energy: -101.415
tors. eta vs tors. theta energy: -228.501
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: 9
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -2596.521623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.521623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.135552 (E_RNA)
where:
Base-Base interactions energy: -1774.940
where: short stacking energy: -716.223
Base-Backbone interact. energy: -3.720
local terms energy: -820.475659
where:
bonds (distance) C4'-P energy: -155.291
bonds (distance) P-C4' energy: -164.648
flat angles C4'-P-C4' energy: -177.315
flat angles P-C4'-P energy: -102.746
tors. eta vs tors. theta energy: -220.475
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: 5, replica: 3
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -2467.560877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.560877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.503195 (E_RNA)
where:
Base-Base interactions energy: -1676.619
where: short stacking energy: -716.682
Base-Backbone interact. energy: -2.916
local terms energy: -790.968501
where:
bonds (distance) C4'-P energy: -136.315
bonds (distance) P-C4' energy: -171.700
flat angles C4'-P-C4' energy: -164.341
flat angles P-C4'-P energy: -108.136
tors. eta vs tors. theta energy: -210.477
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: 6, replica: 1
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -2389.045711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.045711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.436692 (E_RNA)
where:
Base-Base interactions energy: -1640.952
where: short stacking energy: -686.268
Base-Backbone interact. energy: 0.401
local terms energy: -749.885925
where:
bonds (distance) C4'-P energy: -138.741
bonds (distance) P-C4' energy: -139.235
flat angles C4'-P-C4' energy: -166.993
flat angles P-C4'-P energy: -100.963
tors. eta vs tors. theta energy: -203.953
Dist. restrs. and SS energy: 1.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -2159.248922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.248922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.455168 (E_RNA)
where:
Base-Base interactions energy: -1485.007
where: short stacking energy: -583.066
Base-Backbone interact. energy: -1.022
local terms energy: -675.426481
where:
bonds (distance) C4'-P energy: -115.506
bonds (distance) P-C4' energy: -150.379
flat angles C4'-P-C4' energy: -160.129
flat angles P-C4'-P energy: -97.965
tors. eta vs tors. theta energy: -151.448
Dist. restrs. and SS energy: 2.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -1998.841572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.841572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.651003 (E_RNA)
where:
Base-Base interactions energy: -1345.679
where: short stacking energy: -582.405
Base-Backbone interact. energy: -0.225
local terms energy: -657.746351
where:
bonds (distance) C4'-P energy: -131.045
bonds (distance) P-C4' energy: -117.007
flat angles C4'-P-C4' energy: -144.145
flat angles P-C4'-P energy: -113.953
tors. eta vs tors. theta energy: -151.596
Dist. restrs. and SS energy: 4.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -1937.041682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.041682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.175083 (E_RNA)
where:
Base-Base interactions energy: -1309.369
where: short stacking energy: -531.792
Base-Backbone interact. energy: -3.728
local terms energy: -626.078073
where:
bonds (distance) C4'-P energy: -132.154
bonds (distance) P-C4' energy: -134.003
flat angles C4'-P-C4' energy: -138.367
flat angles P-C4'-P energy: -88.200
tors. eta vs tors. theta energy: -133.353
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: 10, replica: 4
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -1852.876117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.876117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.834077 (E_RNA)
where:
Base-Base interactions energy: -1276.786
where: short stacking energy: -538.203
Base-Backbone interact. energy: 1.593
local terms energy: -581.640712
where:
bonds (distance) C4'-P energy: -106.833
bonds (distance) P-C4' energy: -128.699
flat angles C4'-P-C4' energy: -139.248
flat angles P-C4'-P energy: -89.854
tors. eta vs tors. theta energy: -117.006
Dist. restrs. and SS energy: 3.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -2916.762650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2916.762650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2919.131016 (E_RNA)
where:
Base-Base interactions energy: -2014.584
where: short stacking energy: -835.009
Base-Backbone interact. energy: 0.487
local terms energy: -905.034264
where:
bonds (distance) C4'-P energy: -151.561
bonds (distance) P-C4' energy: -176.596
flat angles C4'-P-C4' energy: -204.127
flat angles P-C4'-P energy: -128.750
tors. eta vs tors. theta energy: -243.999
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: 2, replica: 2
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -2778.084635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.084635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.672516 (E_RNA)
where:
Base-Base interactions energy: -1930.419
where: short stacking energy: -809.426
Base-Backbone interact. energy: -2.733
local terms energy: -846.521275
where:
bonds (distance) C4'-P energy: -156.823
bonds (distance) P-C4' energy: -151.827
flat angles C4'-P-C4' energy: -186.027
flat angles P-C4'-P energy: -117.860
tors. eta vs tors. theta energy: -233.985
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: 3, replica: 10
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -2744.176432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.176432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.746695 (E_RNA)
where:
Base-Base interactions energy: -1889.054
where: short stacking energy: -786.158
Base-Backbone interact. energy: -4.698
local terms energy: -852.994747
where:
bonds (distance) C4'-P energy: -156.780
bonds (distance) P-C4' energy: -161.457
flat angles C4'-P-C4' energy: -178.914
flat angles P-C4'-P energy: -117.728
tors. eta vs tors. theta energy: -238.116
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: 4, replica: 9
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -2617.995956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.995956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.201102 (E_RNA)
where:
Base-Base interactions energy: -1811.346
where: short stacking energy: -779.134
Base-Backbone interact. energy: -3.131
local terms energy: -805.723906
where:
bonds (distance) C4'-P energy: -147.754
bonds (distance) P-C4' energy: -143.492
flat angles C4'-P-C4' energy: -165.495
flat angles P-C4'-P energy: -131.095
tors. eta vs tors. theta energy: -217.888
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: 3
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -2462.321824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.321824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.040603 (E_RNA)
where:
Base-Base interactions energy: -1714.875
where: short stacking energy: -722.349
Base-Backbone interact. energy: 4.088
local terms energy: -754.254261
where:
bonds (distance) C4'-P energy: -155.283
bonds (distance) P-C4' energy: -139.187
flat angles C4'-P-C4' energy: -157.943
flat angles P-C4'-P energy: -107.880
tors. eta vs tors. theta energy: -193.962
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: 6, replica: 1
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -2333.456221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.456221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.874670 (E_RNA)
where:
Base-Base interactions energy: -1600.236
where: short stacking energy: -679.051
Base-Backbone interact. energy: 0.357
local terms energy: -734.995297
where:
bonds (distance) C4'-P energy: -122.313
bonds (distance) P-C4' energy: -158.816
flat angles C4'-P-C4' energy: -156.885
flat angles P-C4'-P energy: -112.824
tors. eta vs tors. theta energy: -184.157
Dist. restrs. and SS energy: 1.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -2177.444193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.444193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.138589 (E_RNA)
where:
Base-Base interactions energy: -1481.504
where: short stacking energy: -609.796
Base-Backbone interact. energy: -0.539
local terms energy: -697.095519
where:
bonds (distance) C4'-P energy: -140.336
bonds (distance) P-C4' energy: -136.675
flat angles C4'-P-C4' energy: -160.028
flat angles P-C4'-P energy: -79.967
tors. eta vs tors. theta energy: -180.090
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: 8
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -2053.127335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.127335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.945809 (E_RNA)
where:
Base-Base interactions energy: -1375.726
where: short stacking energy: -576.408
Base-Backbone interact. energy: 4.221
local terms energy: -683.441028
where:
bonds (distance) C4'-P energy: -138.243
bonds (distance) P-C4' energy: -142.398
flat angles C4'-P-C4' energy: -140.695
flat angles P-C4'-P energy: -123.866
tors. eta vs tors. theta energy: -138.239
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: 9, replica: 5
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -1946.114758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.114758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.787331 (E_RNA)
where:
Base-Base interactions energy: -1282.799
where: short stacking energy: -546.034
Base-Backbone interact. energy: -2.200
local terms energy: -665.788959
where:
bonds (distance) C4'-P energy: -137.353
bonds (distance) P-C4' energy: -134.484
flat angles C4'-P-C4' energy: -161.031
flat angles P-C4'-P energy: -85.321
tors. eta vs tors. theta energy: -147.600
Dist. restrs. and SS energy: 4.673 (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: 4
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -1844.387107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.387107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.236930 (E_RNA)
where:
Base-Base interactions energy: -1280.391
where: short stacking energy: -539.745
Base-Backbone interact. energy: 0.162
local terms energy: -567.008794
where:
bonds (distance) C4'-P energy: -118.063
bonds (distance) P-C4' energy: -135.268
flat angles C4'-P-C4' energy: -129.095
flat angles P-C4'-P energy: -59.232
tors. eta vs tors. theta energy: -125.350
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: 1, replica: 7
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -2906.218053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2906.218053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2908.269200 (E_RNA)
where:
Base-Base interactions energy: -2030.976
where: short stacking energy: -860.840
Base-Backbone interact. energy: 2.025
local terms energy: -879.318780
where:
bonds (distance) C4'-P energy: -149.200
bonds (distance) P-C4' energy: -148.372
flat angles C4'-P-C4' energy: -194.911
flat angles P-C4'-P energy: -130.390
tors. eta vs tors. theta energy: -256.446
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: 2, replica: 2
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -2812.166959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.166959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.260457 (E_RNA)
where:
Base-Base interactions energy: -1952.398
where: short stacking energy: -799.874
Base-Backbone interact. energy: -1.506
local terms energy: -859.356674
where:
bonds (distance) C4'-P energy: -162.937
bonds (distance) P-C4' energy: -173.335
flat angles C4'-P-C4' energy: -178.863
flat angles P-C4'-P energy: -116.050
tors. eta vs tors. theta energy: -228.172
Dist. restrs. and SS energy: 1.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -2702.467975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.467975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.247868 (E_RNA)
where:
Base-Base interactions energy: -1917.151
where: short stacking energy: -788.272
Base-Backbone interact. energy: -2.005
local terms energy: -785.092562
where:
bonds (distance) C4'-P energy: -144.929
bonds (distance) P-C4' energy: -152.942
flat angles C4'-P-C4' energy: -164.807
flat angles P-C4'-P energy: -95.328
tors. eta vs tors. theta energy: -227.086
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: 4, replica: 9
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -2589.255288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.255288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.812079 (E_RNA)
where:
Base-Base interactions energy: -1816.178
where: short stacking energy: -730.230
Base-Backbone interact. energy: -2.733
local terms energy: -771.900466
where:
bonds (distance) C4'-P energy: -132.411
bonds (distance) P-C4' energy: -123.901
flat angles C4'-P-C4' energy: -168.375
flat angles P-C4'-P energy: -117.716
tors. eta vs tors. theta energy: -229.498
Dist. restrs. and SS energy: 1.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -2453.578285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.578285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.044484 (E_RNA)
where:
Base-Base interactions energy: -1692.743
where: short stacking energy: -710.557
Base-Backbone interact. energy: -0.564
local terms energy: -761.737414
where:
bonds (distance) C4'-P energy: -144.956
bonds (distance) P-C4' energy: -143.314
flat angles C4'-P-C4' energy: -168.953
flat angles P-C4'-P energy: -111.172
tors. eta vs tors. theta energy: -193.343
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: 1
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -2326.659425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.659425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.637347 (E_RNA)
where:
Base-Base interactions energy: -1574.898
where: short stacking energy: -662.565
Base-Backbone interact. energy: 1.012
local terms energy: -754.751401
where:
bonds (distance) C4'-P energy: -136.975
bonds (distance) P-C4' energy: -149.720
flat angles C4'-P-C4' energy: -164.831
flat angles P-C4'-P energy: -107.335
tors. eta vs tors. theta energy: -195.891
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: 7, replica: 8
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -2080.686912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.686912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.159601 (E_RNA)
where:
Base-Base interactions energy: -1368.292
where: short stacking energy: -596.243
Base-Backbone interact. energy: -2.084
local terms energy: -714.783837
where:
bonds (distance) C4'-P energy: -140.571
bonds (distance) P-C4' energy: -132.074
flat angles C4'-P-C4' energy: -161.182
flat angles P-C4'-P energy: -115.563
tors. eta vs tors. theta energy: -165.395
Dist. restrs. and SS energy: 4.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -2107.594928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.594928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.853439 (E_RNA)
where:
Base-Base interactions energy: -1426.159
where: short stacking energy: -584.143
Base-Backbone interact. energy: 4.998
local terms energy: -689.692008
where:
bonds (distance) C4'-P energy: -131.093
bonds (distance) P-C4' energy: -141.924
flat angles C4'-P-C4' energy: -148.466
flat angles P-C4'-P energy: -95.567
tors. eta vs tors. theta energy: -172.641
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: 9, replica: 5
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -1937.740431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.740431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.883019 (E_RNA)
where:
Base-Base interactions energy: -1320.277
where: short stacking energy: -548.409
Base-Backbone interact. energy: -4.140
local terms energy: -616.466051
where:
bonds (distance) C4'-P energy: -127.688
bonds (distance) P-C4' energy: -122.155
flat angles C4'-P-C4' energy: -142.018
flat angles P-C4'-P energy: -88.400
tors. eta vs tors. theta energy: -136.204
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: 4
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -1858.418287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.418287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.692775 (E_RNA)
where:
Base-Base interactions energy: -1294.141
where: short stacking energy: -555.814
Base-Backbone interact. energy: -2.897
local terms energy: -564.654631
where:
bonds (distance) C4'-P energy: -101.010
bonds (distance) P-C4' energy: -126.946
flat angles C4'-P-C4' energy: -129.214
flat angles P-C4'-P energy: -75.064
tors. eta vs tors. theta energy: -132.420
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: 7
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -2938.229117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2938.229117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2940.029172 (E_RNA)
where:
Base-Base interactions energy: -2058.634
where: short stacking energy: -870.081
Base-Backbone interact. energy: -0.372
local terms energy: -881.022953
where:
bonds (distance) C4'-P energy: -157.851
bonds (distance) P-C4' energy: -164.881
flat angles C4'-P-C4' energy: -189.586
flat angles P-C4'-P energy: -119.810
tors. eta vs tors. theta energy: -248.895
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: 2, replica: 10
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -2768.932851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.932851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.905011 (E_RNA)
where:
Base-Base interactions energy: -1907.853
where: short stacking energy: -784.331
Base-Backbone interact. energy: 0.092
local terms energy: -863.143467
where:
bonds (distance) C4'-P energy: -166.294
bonds (distance) P-C4' energy: -170.685
flat angles C4'-P-C4' energy: -191.506
flat angles P-C4'-P energy: -105.906
tors. eta vs tors. theta energy: -228.753
Dist. restrs. and SS energy: 1.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -2734.811032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.811032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.184112 (E_RNA)
where:
Base-Base interactions energy: -1922.210
where: short stacking energy: -795.945
Base-Backbone interact. energy: -3.002
local terms energy: -810.972111
where:
bonds (distance) C4'-P energy: -159.506
bonds (distance) P-C4' energy: -143.058
flat angles C4'-P-C4' energy: -163.602
flat angles P-C4'-P energy: -109.991
tors. eta vs tors. theta energy: -234.816
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: 4, replica: 9
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -2624.804147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.804147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.622508 (E_RNA)
where:
Base-Base interactions energy: -1796.253
where: short stacking energy: -778.654
Base-Backbone interact. energy: -1.526
local terms energy: -829.843402
where:
bonds (distance) C4'-P energy: -143.955
bonds (distance) P-C4' energy: -147.763
flat angles C4'-P-C4' energy: -182.849
flat angles P-C4'-P energy: -123.246
tors. eta vs tors. theta energy: -232.031
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: 5, replica: 3
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -2476.420672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.420672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.119561 (E_RNA)
where:
Base-Base interactions energy: -1711.003
where: short stacking energy: -717.445
Base-Backbone interact. energy: 2.773
local terms energy: -770.889604
where:
bonds (distance) C4'-P energy: -153.250
bonds (distance) P-C4' energy: -150.946
flat angles C4'-P-C4' energy: -165.868
flat angles P-C4'-P energy: -100.324
tors. eta vs tors. theta energy: -200.501
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: 6, replica: 1
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -2295.325022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.325022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.061534 (E_RNA)
where:
Base-Base interactions energy: -1574.146
where: short stacking energy: -676.524
Base-Backbone interact. energy: 1.944
local terms energy: -725.859410
where:
bonds (distance) C4'-P energy: -140.085
bonds (distance) P-C4' energy: -138.405
flat angles C4'-P-C4' energy: -158.960
flat angles P-C4'-P energy: -94.867
tors. eta vs tors. theta energy: -193.542
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: 7, replica: 8
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -2133.011365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.011365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.387013 (E_RNA)
where:
Base-Base interactions energy: -1435.935
where: short stacking energy: -602.647
Base-Backbone interact. energy: 1.562
local terms energy: -700.013375
where:
bonds (distance) C4'-P energy: -127.200
bonds (distance) P-C4' energy: -143.397
flat angles C4'-P-C4' energy: -151.845
flat angles P-C4'-P energy: -107.277
tors. eta vs tors. theta energy: -170.294
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: 8, replica: 6
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -2048.841679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.841679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.783605 (E_RNA)
where:
Base-Base interactions energy: -1383.788
where: short stacking energy: -554.147
Base-Backbone interact. energy: -4.182
local terms energy: -661.813686
where:
bonds (distance) C4'-P energy: -154.643
bonds (distance) P-C4' energy: -146.870
flat angles C4'-P-C4' energy: -135.764
flat angles P-C4'-P energy: -97.398
tors. eta vs tors. theta energy: -127.139
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: 9, replica: 5
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -1941.002909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.002909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.240402 (E_RNA)
where:
Base-Base interactions energy: -1326.985
where: short stacking energy: -546.434
Base-Backbone interact. energy: 0.900
local terms energy: -617.155476
where:
bonds (distance) C4'-P energy: -136.702
bonds (distance) P-C4' energy: -111.349
flat angles C4'-P-C4' energy: -131.003
flat angles P-C4'-P energy: -84.747
tors. eta vs tors. theta energy: -153.355
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: 10, replica: 4
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -1819.808064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.808064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.136634 (E_RNA)
where:
Base-Base interactions energy: -1230.980
where: short stacking energy: -504.933
Base-Backbone interact. energy: -2.047
local terms energy: -593.109070
where:
bonds (distance) C4'-P energy: -130.746
bonds (distance) P-C4' energy: -122.971
flat angles C4'-P-C4' energy: -143.468
flat angles P-C4'-P energy: -63.048
tors. eta vs tors. theta energy: -132.876
Dist. restrs. and SS energy: 6.329 (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: 7
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -2938.452554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2938.452554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2940.293937 (E_RNA)
where:
Base-Base interactions energy: -2060.440
where: short stacking energy: -845.615
Base-Backbone interact. energy: -1.408
local terms energy: -878.446039
where:
bonds (distance) C4'-P energy: -168.343
bonds (distance) P-C4' energy: -168.049
flat angles C4'-P-C4' energy: -170.989
flat angles P-C4'-P energy: -118.052
tors. eta vs tors. theta energy: -253.013
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: 2, replica: 10
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -2785.070608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.070608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.574668 (E_RNA)
where:
Base-Base interactions energy: -1940.180
where: short stacking energy: -791.406
Base-Backbone interact. energy: -2.519
local terms energy: -843.874754
where:
bonds (distance) C4'-P energy: -152.661
bonds (distance) P-C4' energy: -173.410
flat angles C4'-P-C4' energy: -175.682
flat angles P-C4'-P energy: -113.247
tors. eta vs tors. theta energy: -228.874
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: 3, replica: 9
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -2746.600153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.600153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.642995 (E_RNA)
where:
Base-Base interactions energy: -1888.873
where: short stacking energy: -822.742
Base-Backbone interact. energy: -3.260
local terms energy: -855.510928
where:
bonds (distance) C4'-P energy: -148.167
bonds (distance) P-C4' energy: -158.623
flat angles C4'-P-C4' energy: -170.000
flat angles P-C4'-P energy: -125.424
tors. eta vs tors. theta energy: -253.297
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: 2
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -2646.093355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.093355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.699417 (E_RNA)
where:
Base-Base interactions energy: -1832.464
where: short stacking energy: -783.249
Base-Backbone interact. energy: -3.166
local terms energy: -812.069754
where:
bonds (distance) C4'-P energy: -147.269
bonds (distance) P-C4' energy: -140.750
flat angles C4'-P-C4' energy: -179.353
flat angles P-C4'-P energy: -111.353
tors. eta vs tors. theta energy: -233.345
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: 5, replica: 3
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -2458.311214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.311214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.339673 (E_RNA)
where:
Base-Base interactions energy: -1672.233
where: short stacking energy: -678.426
Base-Backbone interact. energy: -0.539
local terms energy: -787.567138
where:
bonds (distance) C4'-P energy: -156.211
bonds (distance) P-C4' energy: -165.178
flat angles C4'-P-C4' energy: -158.778
flat angles P-C4'-P energy: -113.677
tors. eta vs tors. theta energy: -193.723
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: 6, replica: 1
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -2280.211201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.211201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.997004 (E_RNA)
where:
Base-Base interactions energy: -1569.409
where: short stacking energy: -670.212
Base-Backbone interact. energy: -0.733
local terms energy: -711.855619
where:
bonds (distance) C4'-P energy: -131.217
bonds (distance) P-C4' energy: -143.600
flat angles C4'-P-C4' energy: -149.326
flat angles P-C4'-P energy: -96.981
tors. eta vs tors. theta energy: -190.730
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: 8
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -2103.673963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.673963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.842691 (E_RNA)
where:
Base-Base interactions energy: -1420.111
where: short stacking energy: -603.840
Base-Backbone interact. energy: -0.196
local terms energy: -685.535558
where:
bonds (distance) C4'-P energy: -136.456
bonds (distance) P-C4' energy: -151.009
flat angles C4'-P-C4' energy: -131.576
flat angles P-C4'-P energy: -103.568
tors. eta vs tors. theta energy: -162.926
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: 6
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -2080.651900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.651900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.092036 (E_RNA)
where:
Base-Base interactions energy: -1431.671
where: short stacking energy: -619.452
Base-Backbone interact. energy: 8.911
local terms energy: -661.331811
where:
bonds (distance) C4'-P energy: -124.691
bonds (distance) P-C4' energy: -135.335
flat angles C4'-P-C4' energy: -134.238
flat angles P-C4'-P energy: -95.191
tors. eta vs tors. theta energy: -171.876
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: 9, replica: 5
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -1982.363449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.363449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.686322 (E_RNA)
where:
Base-Base interactions energy: -1319.294
where: short stacking energy: -588.972
Base-Backbone interact. energy: 0.191
local terms energy: -666.583226
where:
bonds (distance) C4'-P energy: -145.341
bonds (distance) P-C4' energy: -117.103
flat angles C4'-P-C4' energy: -161.102
flat angles P-C4'-P energy: -84.989
tors. eta vs tors. theta energy: -158.048
Dist. restrs. and SS energy: 3.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -1831.023683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.023683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.298519 (E_RNA)
where:
Base-Base interactions energy: -1223.534
where: short stacking energy: -515.898
Base-Backbone interact. energy: 2.392
local terms energy: -618.155929
where:
bonds (distance) C4'-P energy: -137.142
bonds (distance) P-C4' energy: -119.458
flat angles C4'-P-C4' energy: -140.340
flat angles P-C4'-P energy: -91.159
tors. eta vs tors. theta energy: -130.058
Dist. restrs. and SS energy: 8.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -2909.928769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2909.928769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2913.568485 (E_RNA)
where:
Base-Base interactions energy: -2036.146
where: short stacking energy: -842.211
Base-Backbone interact. energy: -2.949
local terms energy: -874.473806
where:
bonds (distance) C4'-P energy: -162.478
bonds (distance) P-C4' energy: -155.857
flat angles C4'-P-C4' energy: -180.978
flat angles P-C4'-P energy: -119.197
tors. eta vs tors. theta energy: -255.965
Dist. restrs. and SS energy: 3.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -2781.597626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.597626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.599843 (E_RNA)
where:
Base-Base interactions energy: -1963.126
where: short stacking energy: -809.522
Base-Backbone interact. energy: -3.185
local terms energy: -817.289184
where:
bonds (distance) C4'-P energy: -148.737
bonds (distance) P-C4' energy: -141.612
flat angles C4'-P-C4' energy: -169.251
flat angles P-C4'-P energy: -114.086
tors. eta vs tors. theta energy: -243.604
Dist. restrs. and SS energy: 2.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -2744.826116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.826116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.620606 (E_RNA)
where:
Base-Base interactions energy: -1894.463
where: short stacking energy: -794.983
Base-Backbone interact. energy: 7.836
local terms energy: -859.993108
where:
bonds (distance) C4'-P energy: -152.062
bonds (distance) P-C4' energy: -167.756
flat angles C4'-P-C4' energy: -181.037
flat angles P-C4'-P energy: -120.164
tors. eta vs tors. theta energy: -238.974
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: 4, replica: 2
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -2662.836708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.836708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.508885 (E_RNA)
where:
Base-Base interactions energy: -1856.624
where: short stacking energy: -758.868
Base-Backbone interact. energy: -1.061
local terms energy: -806.824151
where:
bonds (distance) C4'-P energy: -150.565
bonds (distance) P-C4' energy: -149.402
flat angles C4'-P-C4' energy: -164.216
flat angles P-C4'-P energy: -111.215
tors. eta vs tors. theta energy: -231.426
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: 5, replica: 3
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -2435.084106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.084106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.292578 (E_RNA)
where:
Base-Base interactions energy: -1702.832
where: short stacking energy: -692.943
Base-Backbone interact. energy: -1.066
local terms energy: -733.394362
where:
bonds (distance) C4'-P energy: -147.406
bonds (distance) P-C4' energy: -140.803
flat angles C4'-P-C4' energy: -142.940
flat angles P-C4'-P energy: -107.172
tors. eta vs tors. theta energy: -195.073
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: 6, replica: 1
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -2318.542217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.542217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.659928 (E_RNA)
where:
Base-Base interactions energy: -1584.066
where: short stacking energy: -693.920
Base-Backbone interact. energy: -2.882
local terms energy: -734.711989
where:
bonds (distance) C4'-P energy: -134.338
bonds (distance) P-C4' energy: -130.618
flat angles C4'-P-C4' energy: -154.570
flat angles P-C4'-P energy: -104.576
tors. eta vs tors. theta energy: -210.610
Dist. restrs. and SS energy: 3.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -2102.290456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.290456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.157808 (E_RNA)
where:
Base-Base interactions energy: -1431.315
where: short stacking energy: -616.112
Base-Backbone interact. energy: 3.967
local terms energy: -676.809333
where:
bonds (distance) C4'-P energy: -134.312
bonds (distance) P-C4' energy: -130.439
flat angles C4'-P-C4' energy: -153.361
flat angles P-C4'-P energy: -93.864
tors. eta vs tors. theta energy: -164.833
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: 8, replica: 6
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -2074.928622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.928622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.692283 (E_RNA)
where:
Base-Base interactions energy: -1436.920
where: short stacking energy: -601.923
Base-Backbone interact. energy: -3.429
local terms energy: -636.343711
where:
bonds (distance) C4'-P energy: -114.080
bonds (distance) P-C4' energy: -124.262
flat angles C4'-P-C4' energy: -142.947
flat angles P-C4'-P energy: -83.817
tors. eta vs tors. theta energy: -171.238
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: 9, replica: 5
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -2010.780797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.780797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.887701 (E_RNA)
where:
Base-Base interactions energy: -1346.187
where: short stacking energy: -606.493
Base-Backbone interact. energy: 7.637
local terms energy: -675.337396
where:
bonds (distance) C4'-P energy: -129.546
bonds (distance) P-C4' energy: -128.306
flat angles C4'-P-C4' energy: -151.119
flat angles P-C4'-P energy: -96.098
tors. eta vs tors. theta energy: -170.269
Dist. restrs. and SS energy: 3.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -1895.042453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.042453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.124990 (E_RNA)
where:
Base-Base interactions energy: -1289.094
where: short stacking energy: -514.594
Base-Backbone interact. energy: -0.451
local terms energy: -608.579689
where:
bonds (distance) C4'-P energy: -127.414
bonds (distance) P-C4' energy: -142.531
flat angles C4'-P-C4' energy: -123.773
flat angles P-C4'-P energy: -80.219
tors. eta vs tors. theta energy: -134.643
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: 1, replica: 7
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -2918.628454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2918.628454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2920.056537 (E_RNA)
where:
Base-Base interactions energy: -2047.962
where: short stacking energy: -842.514
Base-Backbone interact. energy: -3.482
local terms energy: -868.612988
where:
bonds (distance) C4'-P energy: -155.635
bonds (distance) P-C4' energy: -164.461
flat angles C4'-P-C4' energy: -187.488
flat angles P-C4'-P energy: -117.145
tors. eta vs tors. theta energy: -243.884
Dist. restrs. and SS energy: 1.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -2790.015244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.015244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.750340 (E_RNA)
where:
Base-Base interactions energy: -1953.849
where: short stacking energy: -812.915
Base-Backbone interact. energy: -3.806
local terms energy: -834.095400
where:
bonds (distance) C4'-P energy: -146.646
bonds (distance) P-C4' energy: -152.482
flat angles C4'-P-C4' energy: -181.367
flat angles P-C4'-P energy: -114.946
tors. eta vs tors. theta energy: -238.655
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: 3, replica: 9
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -2720.451320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.451320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.566609 (E_RNA)
where:
Base-Base interactions energy: -1866.707
where: short stacking energy: -774.149
Base-Backbone interact. energy: 2.591
local terms energy: -857.451307
where:
bonds (distance) C4'-P energy: -155.949
bonds (distance) P-C4' energy: -150.117
flat angles C4'-P-C4' energy: -178.448
flat angles P-C4'-P energy: -135.238
tors. eta vs tors. theta energy: -237.700
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: 4, replica: 2
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -2666.037133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.037133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.762313 (E_RNA)
where:
Base-Base interactions energy: -1878.713
where: short stacking energy: -781.625
Base-Backbone interact. energy: 8.815
local terms energy: -797.863880
where:
bonds (distance) C4'-P energy: -140.843
bonds (distance) P-C4' energy: -137.088
flat angles C4'-P-C4' energy: -168.753
flat angles P-C4'-P energy: -120.832
tors. eta vs tors. theta energy: -230.349
Dist. restrs. and SS energy: 1.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -2467.714442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.714442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.504128 (E_RNA)
where:
Base-Base interactions energy: -1699.383
where: short stacking energy: -714.662
Base-Backbone interact. energy: 3.645
local terms energy: -773.766593
where:
bonds (distance) C4'-P energy: -142.685
bonds (distance) P-C4' energy: -150.600
flat angles C4'-P-C4' energy: -168.253
flat angles P-C4'-P energy: -105.492
tors. eta vs tors. theta energy: -206.736
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: 6, replica: 1
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -2312.946061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.946061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.286648 (E_RNA)
where:
Base-Base interactions energy: -1560.228
where: short stacking energy: -654.894
Base-Backbone interact. energy: -2.198
local terms energy: -751.860724
where:
bonds (distance) C4'-P energy: -148.135
bonds (distance) P-C4' energy: -143.591
flat angles C4'-P-C4' energy: -162.946
flat angles P-C4'-P energy: -115.147
tors. eta vs tors. theta energy: -182.041
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: 7, replica: 8
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -2135.456090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.456090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.115835 (E_RNA)
where:
Base-Base interactions energy: -1488.210
where: short stacking energy: -640.281
Base-Backbone interact. energy: -3.541
local terms energy: -647.364421
where:
bonds (distance) C4'-P energy: -112.513
bonds (distance) P-C4' energy: -133.224
flat angles C4'-P-C4' energy: -136.076
flat angles P-C4'-P energy: -100.771
tors. eta vs tors. theta energy: -164.780
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: 6
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -2090.367301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.367301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.422571 (E_RNA)
where:
Base-Base interactions energy: -1409.759
where: short stacking energy: -598.058
Base-Backbone interact. energy: -4.501
local terms energy: -679.163404
where:
bonds (distance) C4'-P energy: -130.262
bonds (distance) P-C4' energy: -159.379
flat angles C4'-P-C4' energy: -139.735
flat angles P-C4'-P energy: -96.348
tors. eta vs tors. theta energy: -153.439
Dist. restrs. and SS energy: 3.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -1978.195137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.195137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.824322 (E_RNA)
where:
Base-Base interactions energy: -1336.971
where: short stacking energy: -557.112
Base-Backbone interact. energy: -0.766
local terms energy: -644.087347
where:
bonds (distance) C4'-P energy: -131.838
bonds (distance) P-C4' energy: -126.993
flat angles C4'-P-C4' energy: -147.748
flat angles P-C4'-P energy: -89.404
tors. eta vs tors. theta energy: -148.105
Dist. restrs. and SS energy: 3.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -1846.729234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.729234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.142887 (E_RNA)
where:
Base-Base interactions energy: -1247.447
where: short stacking energy: -523.509
Base-Backbone interact. energy: -0.177
local terms energy: -601.519347
where:
bonds (distance) C4'-P energy: -108.959
bonds (distance) P-C4' energy: -124.182
flat angles C4'-P-C4' energy: -143.153
flat angles P-C4'-P energy: -91.200
tors. eta vs tors. theta energy: -134.025
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: 1, replica: 7
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -2931.105480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2931.105480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2932.242283 (E_RNA)
where:
Base-Base interactions energy: -2030.752
where: short stacking energy: -841.922
Base-Backbone interact. energy: -5.842
local terms energy: -895.648302
where:
bonds (distance) C4'-P energy: -167.683
bonds (distance) P-C4' energy: -172.684
flat angles C4'-P-C4' energy: -185.126
flat angles P-C4'-P energy: -122.474
tors. eta vs tors. theta energy: -247.681
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: 10
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -2774.509711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.509711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.411565 (E_RNA)
where:
Base-Base interactions energy: -1904.848
where: short stacking energy: -801.057
Base-Backbone interact. energy: -3.706
local terms energy: -867.857327
where:
bonds (distance) C4'-P energy: -166.511
bonds (distance) P-C4' energy: -157.908
flat angles C4'-P-C4' energy: -177.770
flat angles P-C4'-P energy: -130.794
tors. eta vs tors. theta energy: -234.874
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: 3, replica: 9
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -2713.376429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.376429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.601684 (E_RNA)
where:
Base-Base interactions energy: -1864.071
where: short stacking energy: -799.241
Base-Backbone interact. energy: -2.053
local terms energy: -849.477305
where:
bonds (distance) C4'-P energy: -141.572
bonds (distance) P-C4' energy: -170.612
flat angles C4'-P-C4' energy: -165.622
flat angles P-C4'-P energy: -133.037
tors. eta vs tors. theta energy: -238.634
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: 4, replica: 2
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -2645.187189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.187189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.654188 (E_RNA)
where:
Base-Base interactions energy: -1858.742
where: short stacking energy: -768.961
Base-Backbone interact. energy: -3.906
local terms energy: -785.006568
where:
bonds (distance) C4'-P energy: -136.764
bonds (distance) P-C4' energy: -141.322
flat angles C4'-P-C4' energy: -169.691
flat angles P-C4'-P energy: -109.945
tors. eta vs tors. theta energy: -227.285
Dist. restrs. and SS energy: 2.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -2496.342946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.342946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.511838 (E_RNA)
where:
Base-Base interactions energy: -1697.896
where: short stacking energy: -728.658
Base-Backbone interact. energy: -3.897
local terms energy: -796.718497
where:
bonds (distance) C4'-P energy: -148.807
bonds (distance) P-C4' energy: -143.536
flat angles C4'-P-C4' energy: -178.708
flat angles P-C4'-P energy: -115.258
tors. eta vs tors. theta energy: -210.410
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: 1
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -2289.310834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.310834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.213678 (E_RNA)
where:
Base-Base interactions energy: -1565.736
where: short stacking energy: -684.205
Base-Backbone interact. energy: -4.270
local terms energy: -721.208388
where:
bonds (distance) C4'-P energy: -127.885
bonds (distance) P-C4' energy: -137.216
flat angles C4'-P-C4' energy: -157.877
flat angles P-C4'-P energy: -101.011
tors. eta vs tors. theta energy: -197.219
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: 7, replica: 8
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -2109.347630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.347630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.779357 (E_RNA)
where:
Base-Base interactions energy: -1413.177
where: short stacking energy: -611.540
Base-Backbone interact. energy: 0.494
local terms energy: -699.096448
where:
bonds (distance) C4'-P energy: -152.385
bonds (distance) P-C4' energy: -134.733
flat angles C4'-P-C4' energy: -152.354
flat angles P-C4'-P energy: -90.157
tors. eta vs tors. theta energy: -169.467
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: 8, replica: 6
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -2019.763146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.763146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.301824 (E_RNA)
where:
Base-Base interactions energy: -1363.869
where: short stacking energy: -560.166
Base-Backbone interact. energy: 2.382
local terms energy: -659.814550
where:
bonds (distance) C4'-P energy: -142.350
bonds (distance) P-C4' energy: -148.924
flat angles C4'-P-C4' energy: -141.370
flat angles P-C4'-P energy: -90.095
tors. eta vs tors. theta energy: -137.075
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: 9, replica: 5
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -1932.803761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.803761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.074875 (E_RNA)
where:
Base-Base interactions energy: -1318.387
where: short stacking energy: -562.474
Base-Backbone interact. energy: -1.238
local terms energy: -619.449660
where:
bonds (distance) C4'-P energy: -112.520
bonds (distance) P-C4' energy: -130.065
flat angles C4'-P-C4' energy: -142.832
flat angles P-C4'-P energy: -86.051
tors. eta vs tors. theta energy: -147.982
Dist. restrs. and SS energy: 6.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -1902.551639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.551639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.361279 (E_RNA)
where:
Base-Base interactions energy: -1322.915
where: short stacking energy: -555.754
Base-Backbone interact. energy: 9.125
local terms energy: -591.571308
where:
bonds (distance) C4'-P energy: -121.327
bonds (distance) P-C4' energy: -126.651
flat angles C4'-P-C4' energy: -129.295
flat angles P-C4'-P energy: -80.470
tors. eta vs tors. theta energy: -133.828
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: 1, replica: 7
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -2935.075868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2935.075868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2936.762858 (E_RNA)
where:
Base-Base interactions energy: -2055.686
where: short stacking energy: -837.816
Base-Backbone interact. energy: -2.855
local terms energy: -878.221644
where:
bonds (distance) C4'-P energy: -154.980
bonds (distance) P-C4' energy: -167.813
flat angles C4'-P-C4' energy: -176.257
flat angles P-C4'-P energy: -126.463
tors. eta vs tors. theta energy: -252.709
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: 10
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -2820.430022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.430022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.519341 (E_RNA)
where:
Base-Base interactions energy: -1961.401
where: short stacking energy: -792.741
Base-Backbone interact. energy: 0.171
local terms energy: -861.288881
where:
bonds (distance) C4'-P energy: -157.952
bonds (distance) P-C4' energy: -170.742
flat angles C4'-P-C4' energy: -180.578
flat angles P-C4'-P energy: -123.551
tors. eta vs tors. theta energy: -228.466
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: 3, replica: 9
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -2696.441035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.441035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.991823 (E_RNA)
where:
Base-Base interactions energy: -1864.784
where: short stacking energy: -773.685
Base-Backbone interact. energy: -2.646
local terms energy: -830.561552
where:
bonds (distance) C4'-P energy: -145.821
bonds (distance) P-C4' energy: -158.651
flat angles C4'-P-C4' energy: -172.785
flat angles P-C4'-P energy: -113.865
tors. eta vs tors. theta energy: -239.440
Dist. restrs. and SS energy: 1.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -2664.269151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.269151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.868478 (E_RNA)
where:
Base-Base interactions energy: -1831.926
where: short stacking energy: -734.119
Base-Backbone interact. energy: 0.440
local terms energy: -834.382609
where:
bonds (distance) C4'-P energy: -158.037
bonds (distance) P-C4' energy: -148.947
flat angles C4'-P-C4' energy: -182.798
flat angles P-C4'-P energy: -130.530
tors. eta vs tors. theta energy: -214.071
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: 5, replica: 3
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -2443.147071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.147071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.349976 (E_RNA)
where:
Base-Base interactions energy: -1680.079
where: short stacking energy: -705.995
Base-Backbone interact. energy: 2.481
local terms energy: -767.751090
where:
bonds (distance) C4'-P energy: -160.365
bonds (distance) P-C4' energy: -137.670
flat angles C4'-P-C4' energy: -163.026
flat angles P-C4'-P energy: -113.603
tors. eta vs tors. theta energy: -193.087
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: 376
Temperature: 1.150000
Total energy: -2259.033162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.033162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.590465 (E_RNA)
where:
Base-Base interactions energy: -1544.489
where: short stacking energy: -672.622
Base-Backbone interact. energy: 1.629
local terms energy: -717.730901
where:
bonds (distance) C4'-P energy: -134.504
bonds (distance) P-C4' energy: -142.760
flat angles C4'-P-C4' energy: -150.991
flat angles P-C4'-P energy: -96.319
tors. eta vs tors. theta energy: -193.157
Dist. restrs. and SS energy: 1.557 (S_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: 376
Temperature: 1.200000
Total energy: -2113.556086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.556086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.701323 (E_RNA)
where:
Base-Base interactions energy: -1449.809
where: short stacking energy: -613.717
Base-Backbone interact. energy: 9.923
local terms energy: -674.814983
where:
bonds (distance) C4'-P energy: -113.252
bonds (distance) P-C4' energy: -135.444
flat angles C4'-P-C4' energy: -161.354
flat angles P-C4'-P energy: -107.587
tors. eta vs tors. theta energy: -157.177
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: 8, replica: 6
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -2034.142540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.142540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.022269 (E_RNA)
where:
Base-Base interactions energy: -1378.113
where: short stacking energy: -565.105
Base-Backbone interact. energy: -1.725
local terms energy: -657.184888
where:
bonds (distance) C4'-P energy: -133.817
bonds (distance) P-C4' energy: -145.255
flat angles C4'-P-C4' energy: -142.934
flat angles P-C4'-P energy: -78.989
tors. eta vs tors. theta energy: -156.190
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: 9, replica: 5
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -1951.376263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.376263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.615762 (E_RNA)
where:
Base-Base interactions energy: -1298.865
where: short stacking energy: -545.703
Base-Backbone interact. energy: 11.156
local terms energy: -665.906608
where:
bonds (distance) C4'-P energy: -140.610
bonds (distance) P-C4' energy: -139.656
flat angles C4'-P-C4' energy: -143.040
flat angles P-C4'-P energy: -90.727
tors. eta vs tors. theta energy: -151.875
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: 10, replica: 4
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -1860.214249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.214249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.260373 (E_RNA)
where:
Base-Base interactions energy: -1291.765
where: short stacking energy: -539.739
Base-Backbone interact. energy: 4.140
local terms energy: -576.635118
where:
bonds (distance) C4'-P energy: -118.521
bonds (distance) P-C4' energy: -133.864
flat angles C4'-P-C4' energy: -118.659
flat angles P-C4'-P energy: -81.074
tors. eta vs tors. theta energy: -124.516
Dist. restrs. and SS energy: 4.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -2951.343881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2951.343881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2952.700651 (E_RNA)
where:
Base-Base interactions energy: -2052.965
where: short stacking energy: -829.058
Base-Backbone interact. energy: -1.035
local terms energy: -898.700484
where:
bonds (distance) C4'-P energy: -167.318
bonds (distance) P-C4' energy: -159.285
flat angles C4'-P-C4' energy: -188.875
flat angles P-C4'-P energy: -126.554
tors. eta vs tors. theta energy: -256.669
Dist. restrs. and SS energy: 1.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -2818.906305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.906305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.586383 (E_RNA)
where:
Base-Base interactions energy: -1943.365
where: short stacking energy: -803.769
Base-Backbone interact. energy: 0.499
local terms energy: -877.720196
where:
bonds (distance) C4'-P energy: -169.443
bonds (distance) P-C4' energy: -165.099
flat angles C4'-P-C4' energy: -174.228
flat angles P-C4'-P energy: -134.356
tors. eta vs tors. theta energy: -234.593
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: 3, replica: 9
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -2709.332479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.332479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.417800 (E_RNA)
where:
Base-Base interactions energy: -1859.550
where: short stacking energy: -773.548
Base-Backbone interact. energy: -2.468
local terms energy: -849.400145
where:
bonds (distance) C4'-P energy: -140.306
bonds (distance) P-C4' energy: -168.285
flat angles C4'-P-C4' energy: -192.391
flat angles P-C4'-P energy: -118.693
tors. eta vs tors. theta energy: -229.725
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: 4, replica: 2
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -2650.840799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.840799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.978823 (E_RNA)
where:
Base-Base interactions energy: -1827.529
where: short stacking energy: -741.671
Base-Backbone interact. energy: -5.595
local terms energy: -819.854148
where:
bonds (distance) C4'-P energy: -148.651
bonds (distance) P-C4' energy: -149.529
flat angles C4'-P-C4' energy: -172.520
flat angles P-C4'-P energy: -114.381
tors. eta vs tors. theta energy: -234.774
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: 3
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -2446.274072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.274072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.981533 (E_RNA)
where:
Base-Base interactions energy: -1673.720
where: short stacking energy: -691.725
Base-Backbone interact. energy: 3.723
local terms energy: -777.984532
where:
bonds (distance) C4'-P energy: -134.609
bonds (distance) P-C4' energy: -150.192
flat angles C4'-P-C4' energy: -174.506
flat angles P-C4'-P energy: -116.360
tors. eta vs tors. theta energy: -202.317
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: 377
Temperature: 1.150000
Total energy: -2289.181732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.181732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.860542 (E_RNA)
where:
Base-Base interactions energy: -1531.330
where: short stacking energy: -648.059
Base-Backbone interact. energy: -0.864
local terms energy: -761.666715
where:
bonds (distance) C4'-P energy: -147.720
bonds (distance) P-C4' energy: -150.546
flat angles C4'-P-C4' energy: -169.929
flat angles P-C4'-P energy: -104.011
tors. eta vs tors. theta energy: -189.461
Dist. restrs. and SS energy: 4.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -2115.985759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.985759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.946673 (E_RNA)
where:
Base-Base interactions energy: -1416.119
where: short stacking energy: -623.625
Base-Backbone interact. energy: 1.829
local terms energy: -704.656426
where:
bonds (distance) C4'-P energy: -136.573
bonds (distance) P-C4' energy: -140.889
flat angles C4'-P-C4' energy: -166.113
flat angles P-C4'-P energy: -94.334
tors. eta vs tors. theta energy: -166.747
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: 8, replica: 6
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -2114.717735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.717735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.323057 (E_RNA)
where:
Base-Base interactions energy: -1419.007
where: short stacking energy: -595.796
Base-Backbone interact. energy: -1.732
local terms energy: -696.583520
where:
bonds (distance) C4'-P energy: -133.932
bonds (distance) P-C4' energy: -130.199
flat angles C4'-P-C4' energy: -172.112
flat angles P-C4'-P energy: -105.739
tors. eta vs tors. theta energy: -154.602
Dist. restrs. and SS energy: 2.605 (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: 5
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -1934.874499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.874499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.244851 (E_RNA)
where:
Base-Base interactions energy: -1294.970
where: short stacking energy: -537.210
Base-Backbone interact. energy: -2.424
local terms energy: -647.850549
where:
bonds (distance) C4'-P energy: -123.219
bonds (distance) P-C4' energy: -149.656
flat angles C4'-P-C4' energy: -139.337
flat angles P-C4'-P energy: -83.576
tors. eta vs tors. theta energy: -152.062
Dist. restrs. and SS energy: 10.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -1823.360471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.360471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.167313 (E_RNA)
where:
Base-Base interactions energy: -1200.804
where: short stacking energy: -484.924
Base-Backbone interact. energy: -3.699
local terms energy: -624.664752
where:
bonds (distance) C4'-P energy: -108.712
bonds (distance) P-C4' energy: -143.960
flat angles C4'-P-C4' energy: -146.324
flat angles P-C4'-P energy: -101.134
tors. eta vs tors. theta energy: -124.534
Dist. restrs. and SS energy: 5.807 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -2923.679875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2923.679875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2924.630767 (E_RNA)
where:
Base-Base interactions energy: -2043.795
where: short stacking energy: -838.113
Base-Backbone interact. energy: -2.824
local terms energy: -878.011541
where:
bonds (distance) C4'-P energy: -147.246
bonds (distance) P-C4' energy: -166.852
flat angles C4'-P-C4' energy: -177.510
flat angles P-C4'-P energy: -132.474
tors. eta vs tors. theta energy: -253.930
Dist. restrs. and SS energy: 0.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -2837.336692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2837.336692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2839.181271 (E_RNA)
where:
Base-Base interactions energy: -1953.064
where: short stacking energy: -814.663
Base-Backbone interact. energy: -4.879
local terms energy: -881.238594
where:
bonds (distance) C4'-P energy: -147.990
bonds (distance) P-C4' energy: -169.557
flat angles C4'-P-C4' energy: -181.789
flat angles P-C4'-P energy: -129.976
tors. eta vs tors. theta energy: -251.927
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: 3, replica: 9
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -2703.368092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.368092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.386585 (E_RNA)
where:
Base-Base interactions energy: -1861.682
where: short stacking energy: -777.857
Base-Backbone interact. energy: -0.976
local terms energy: -842.728630
where:
bonds (distance) C4'-P energy: -160.926
bonds (distance) P-C4' energy: -157.907
flat angles C4'-P-C4' energy: -181.841
flat angles P-C4'-P energy: -122.573
tors. eta vs tors. theta energy: -219.481
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: 4, replica: 2
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -2635.132718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.132718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.180539 (E_RNA)
where:
Base-Base interactions energy: -1832.672
where: short stacking energy: -779.737
Base-Backbone interact. energy: -2.539
local terms energy: -802.968757
where:
bonds (distance) C4'-P energy: -160.157
bonds (distance) P-C4' energy: -130.234
flat angles C4'-P-C4' energy: -173.658
flat angles P-C4'-P energy: -104.560
tors. eta vs tors. theta energy: -234.360
Dist. restrs. and SS energy: 3.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -2434.314210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.314210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.314349 (E_RNA)
where:
Base-Base interactions energy: -1655.144
where: short stacking energy: -693.100
Base-Backbone interact. energy: 0.994
local terms energy: -782.164257
where:
bonds (distance) C4'-P energy: -151.490
bonds (distance) P-C4' energy: -151.588
flat angles C4'-P-C4' energy: -152.320
flat angles P-C4'-P energy: -126.255
tors. eta vs tors. theta energy: -200.512
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: 378
Temperature: 1.150000
Total energy: -2298.125856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.125856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.677276 (E_RNA)
where:
Base-Base interactions energy: -1562.033
where: short stacking energy: -672.471
Base-Backbone interact. energy: 1.526
local terms energy: -740.169879
where:
bonds (distance) C4'-P energy: -139.203
bonds (distance) P-C4' energy: -146.656
flat angles C4'-P-C4' energy: -169.133
flat angles P-C4'-P energy: -98.982
tors. eta vs tors. theta energy: -186.195
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: 7, replica: 6
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -2102.837005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.837005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.466750 (E_RNA)
where:
Base-Base interactions energy: -1452.348
where: short stacking energy: -624.311
Base-Backbone interact. energy: 7.713
local terms energy: -662.831676
where:
bonds (distance) C4'-P energy: -118.068
bonds (distance) P-C4' energy: -130.023
flat angles C4'-P-C4' energy: -148.731
flat angles P-C4'-P energy: -98.048
tors. eta vs tors. theta energy: -167.962
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: 8, replica: 8
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -2051.073520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.073520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.997030 (E_RNA)
where:
Base-Base interactions energy: -1417.290
where: short stacking energy: -591.544
Base-Backbone interact. energy: -1.013
local terms energy: -634.694747
where:
bonds (distance) C4'-P energy: -116.325
bonds (distance) P-C4' energy: -112.619
flat angles C4'-P-C4' energy: -149.728
flat angles P-C4'-P energy: -98.252
tors. eta vs tors. theta energy: -157.770
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: 9, replica: 5
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -1958.306323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.306323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.293289 (E_RNA)
where:
Base-Base interactions energy: -1357.296
where: short stacking energy: -553.057
Base-Backbone interact. energy: -1.731
local terms energy: -602.265956
where:
bonds (distance) C4'-P energy: -112.422
bonds (distance) P-C4' energy: -129.627
flat angles C4'-P-C4' energy: -138.809
flat angles P-C4'-P energy: -80.088
tors. eta vs tors. theta energy: -141.320
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: 10, replica: 4
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -1827.927903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.927903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.863501 (E_RNA)
where:
Base-Base interactions energy: -1227.274
where: short stacking energy: -520.870
Base-Backbone interact. energy: 4.633
local terms energy: -615.222080
where:
bonds (distance) C4'-P energy: -124.366
bonds (distance) P-C4' energy: -146.908
flat angles C4'-P-C4' energy: -131.491
flat angles P-C4'-P energy: -90.292
tors. eta vs tors. theta energy: -122.165
Dist. restrs. and SS energy: 9.936 (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: 7
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -2954.746827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2954.746827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2955.809492 (E_RNA)
where:
Base-Base interactions energy: -2073.099
where: short stacking energy: -855.685
Base-Backbone interact. energy: 5.134
local terms energy: -887.844312
where:
bonds (distance) C4'-P energy: -160.446
bonds (distance) P-C4' energy: -154.213
flat angles C4'-P-C4' energy: -191.618
flat angles P-C4'-P energy: -129.577
tors. eta vs tors. theta energy: -251.989
Dist. restrs. and SS energy: 1.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -2784.837857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.837857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.379438 (E_RNA)
where:
Base-Base interactions energy: -1958.453
where: short stacking energy: -809.873
Base-Backbone interact. energy: -0.382
local terms energy: -827.544651
where:
bonds (distance) C4'-P energy: -142.972
bonds (distance) P-C4' energy: -156.542
flat angles C4'-P-C4' energy: -181.746
flat angles P-C4'-P energy: -115.301
tors. eta vs tors. theta energy: -230.983
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: 9
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -2702.970172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.970172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.090742 (E_RNA)
where:
Base-Base interactions energy: -1896.644
where: short stacking energy: -791.567
Base-Backbone interact. energy: -3.298
local terms energy: -805.148724
where:
bonds (distance) C4'-P energy: -121.415
bonds (distance) P-C4' energy: -153.653
flat angles C4'-P-C4' energy: -171.038
flat angles P-C4'-P energy: -117.582
tors. eta vs tors. theta energy: -241.461
Dist. restrs. and SS energy: 2.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -2635.509909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.509909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.881102 (E_RNA)
where:
Base-Base interactions energy: -1848.295
where: short stacking energy: -735.356
Base-Backbone interact. energy: -1.611
local terms energy: -786.974786
where:
bonds (distance) C4'-P energy: -151.085
bonds (distance) P-C4' energy: -140.969
flat angles C4'-P-C4' energy: -180.715
flat angles P-C4'-P energy: -98.339
tors. eta vs tors. theta energy: -215.866
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: 5, replica: 3
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -2506.540593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.540593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.341434 (E_RNA)
where:
Base-Base interactions energy: -1766.020
where: short stacking energy: -742.082
Base-Backbone interact. energy: 3.464
local terms energy: -744.785394
where:
bonds (distance) C4'-P energy: -148.580
bonds (distance) P-C4' energy: -132.970
flat angles C4'-P-C4' energy: -164.293
flat angles P-C4'-P energy: -87.502
tors. eta vs tors. theta energy: -211.441
Dist. restrs. and SS energy: 0.801 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -2389.721053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.721053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.712140 (E_RNA)
where:
Base-Base interactions energy: -1614.064
where: short stacking energy: -709.338
Base-Backbone interact. energy: -2.597
local terms energy: -775.051101
where:
bonds (distance) C4'-P energy: -157.170
bonds (distance) P-C4' energy: -141.721
flat angles C4'-P-C4' energy: -169.605
flat angles P-C4'-P energy: -99.634
tors. eta vs tors. theta energy: -206.921
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: 7, replica: 6
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -2107.416659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.416659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.267453 (E_RNA)
where:
Base-Base interactions energy: -1445.532
where: short stacking energy: -597.554
Base-Backbone interact. energy: 4.647
local terms energy: -669.381715
where:
bonds (distance) C4'-P energy: -112.605
bonds (distance) P-C4' energy: -140.520
flat angles C4'-P-C4' energy: -148.045
flat angles P-C4'-P energy: -104.967
tors. eta vs tors. theta energy: -163.244
Dist. restrs. and SS energy: 2.851 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -2040.234038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.234038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.363053 (E_RNA)
where:
Base-Base interactions energy: -1394.345
where: short stacking energy: -609.606
Base-Backbone interact. energy: -4.519
local terms energy: -645.499191
where:
bonds (distance) C4'-P energy: -128.690
bonds (distance) P-C4' energy: -134.128
flat angles C4'-P-C4' energy: -147.508
flat angles P-C4'-P energy: -76.374
tors. eta vs tors. theta energy: -158.799
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: 9, replica: 5
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -2006.627763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.627763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.055388 (E_RNA)
where:
Base-Base interactions energy: -1346.909
where: short stacking energy: -575.891
Base-Backbone interact. energy: 0.972
local terms energy: -663.118575
where:
bonds (distance) C4'-P energy: -142.279
bonds (distance) P-C4' energy: -143.453
flat angles C4'-P-C4' energy: -133.983
flat angles P-C4'-P energy: -92.632
tors. eta vs tors. theta energy: -150.772
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: 10, replica: 4
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -1813.594161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.594161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.765113 (E_RNA)
where:
Base-Base interactions energy: -1230.477
where: short stacking energy: -489.254
Base-Backbone interact. energy: 2.457
local terms energy: -589.745137
where:
bonds (distance) C4'-P energy: -115.504
bonds (distance) P-C4' energy: -129.505
flat angles C4'-P-C4' energy: -135.143
flat angles P-C4'-P energy: -84.709
tors. eta vs tors. theta energy: -124.884
Dist. restrs. and SS energy: 4.171 (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: 7
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -2975.493919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2975.493919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2976.645116 (E_RNA)
where:
Base-Base interactions energy: -2075.322
where: short stacking energy: -898.742
Base-Backbone interact. energy: -2.432
local terms energy: -898.891000
where:
bonds (distance) C4'-P energy: -146.579
bonds (distance) P-C4' energy: -168.733
flat angles C4'-P-C4' energy: -194.438
flat angles P-C4'-P energy: -124.524
tors. eta vs tors. theta energy: -264.618
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: 2, replica: 10
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -2807.731853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.731853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.365596 (E_RNA)
where:
Base-Base interactions energy: -1943.168
where: short stacking energy: -817.532
Base-Backbone interact. energy: -2.851
local terms energy: -863.346294
where:
bonds (distance) C4'-P energy: -144.409
bonds (distance) P-C4' energy: -173.883
flat angles C4'-P-C4' energy: -193.133
flat angles P-C4'-P energy: -104.503
tors. eta vs tors. theta energy: -247.418
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: 3, replica: 9
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -2725.936229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.936229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.604776 (E_RNA)
where:
Base-Base interactions energy: -1876.304
where: short stacking energy: -779.712
Base-Backbone interact. energy: 3.402
local terms energy: -854.702249
where:
bonds (distance) C4'-P energy: -159.037
bonds (distance) P-C4' energy: -143.198
flat angles C4'-P-C4' energy: -189.559
flat angles P-C4'-P energy: -129.168
tors. eta vs tors. theta energy: -233.740
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: 4, replica: 2
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -2614.224921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.224921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.856034 (E_RNA)
where:
Base-Base interactions energy: -1794.645
where: short stacking energy: -720.869
Base-Backbone interact. energy: -1.320
local terms energy: -819.890936
where:
bonds (distance) C4'-P energy: -162.559
bonds (distance) P-C4' energy: -168.209
flat angles C4'-P-C4' energy: -152.692
flat angles P-C4'-P energy: -121.285
tors. eta vs tors. theta energy: -215.146
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: 3
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -2490.349694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.349694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.932502 (E_RNA)
where:
Base-Base interactions energy: -1749.910
where: short stacking energy: -719.819
Base-Backbone interact. energy: -0.735
local terms energy: -741.287393
where:
bonds (distance) C4'-P energy: -140.630
bonds (distance) P-C4' energy: -146.984
flat angles C4'-P-C4' energy: -154.140
flat angles P-C4'-P energy: -106.209
tors. eta vs tors. theta energy: -193.324
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: 6, replica: 1
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -2309.234206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.234206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.554714 (E_RNA)
where:
Base-Base interactions energy: -1552.051
where: short stacking energy: -669.665
Base-Backbone interact. energy: -1.771
local terms energy: -757.732617
where:
bonds (distance) C4'-P energy: -151.356
bonds (distance) P-C4' energy: -157.961
flat angles C4'-P-C4' energy: -168.715
flat angles P-C4'-P energy: -97.280
tors. eta vs tors. theta energy: -182.421
Dist. restrs. and SS energy: 2.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -2140.128263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.128263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.206888 (E_RNA)
where:
Base-Base interactions energy: -1459.709
where: short stacking energy: -615.049
Base-Backbone interact. energy: -3.775
local terms energy: -680.722577
where:
bonds (distance) C4'-P energy: -125.137
bonds (distance) P-C4' energy: -123.844
flat angles C4'-P-C4' energy: -161.882
flat angles P-C4'-P energy: -101.904
tors. eta vs tors. theta energy: -167.956
Dist. restrs. and SS energy: 4.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -1999.244566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.244566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.647767 (E_RNA)
where:
Base-Base interactions energy: -1313.872
where: short stacking energy: -546.855
Base-Backbone interact. energy: -4.618
local terms energy: -684.157629
where:
bonds (distance) C4'-P energy: -132.737
bonds (distance) P-C4' energy: -147.259
flat angles C4'-P-C4' energy: -158.281
flat angles P-C4'-P energy: -84.544
tors. eta vs tors. theta energy: -161.337
Dist. restrs. and SS energy: 3.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -2004.306889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.306889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.703500 (E_RNA)
where:
Base-Base interactions energy: -1384.900
where: short stacking energy: -594.329
Base-Backbone interact. energy: -3.469
local terms energy: -618.334649
where:
bonds (distance) C4'-P energy: -119.182
bonds (distance) P-C4' energy: -122.520
flat angles C4'-P-C4' energy: -127.796
flat angles P-C4'-P energy: -95.013
tors. eta vs tors. theta energy: -153.823
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: 10, replica: 4
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -1820.498002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.498002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.311844 (E_RNA)
where:
Base-Base interactions energy: -1242.607
where: short stacking energy: -506.663
Base-Backbone interact. energy: 3.853
local terms energy: -585.557584
where:
bonds (distance) C4'-P energy: -120.801
bonds (distance) P-C4' energy: -127.466
flat angles C4'-P-C4' energy: -144.122
flat angles P-C4'-P energy: -64.612
tors. eta vs tors. theta energy: -128.557
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: 1, replica: 7
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -2972.336636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2972.336636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2973.754706 (E_RNA)
where:
Base-Base interactions energy: -2081.765
where: short stacking energy: -839.682
Base-Backbone interact. energy: -6.108
local terms energy: -885.881651
where:
bonds (distance) C4'-P energy: -150.058
bonds (distance) P-C4' energy: -167.428
flat angles C4'-P-C4' energy: -188.559
flat angles P-C4'-P energy: -130.533
tors. eta vs tors. theta energy: -249.304
Dist. restrs. and SS energy: 1.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -2777.011214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.011214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.085621 (E_RNA)
where:
Base-Base interactions energy: -1935.811
where: short stacking energy: -794.160
Base-Backbone interact. energy: -5.106
local terms energy: -838.168501
where:
bonds (distance) C4'-P energy: -155.707
bonds (distance) P-C4' energy: -168.241
flat angles C4'-P-C4' energy: -167.074
flat angles P-C4'-P energy: -112.371
tors. eta vs tors. theta energy: -234.775
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: 3, replica: 9
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -2703.360141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.360141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.192888 (E_RNA)
where:
Base-Base interactions energy: -1864.657
where: short stacking energy: -785.380
Base-Backbone interact. energy: 1.161
local terms energy: -841.697572
where:
bonds (distance) C4'-P energy: -130.317
bonds (distance) P-C4' energy: -173.999
flat angles C4'-P-C4' energy: -176.739
flat angles P-C4'-P energy: -120.788
tors. eta vs tors. theta energy: -239.855
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: 4, replica: 2
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -2641.347828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.347828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.038576 (E_RNA)
where:
Base-Base interactions energy: -1839.357
where: short stacking energy: -767.296
Base-Backbone interact. energy: -0.411
local terms energy: -805.270807
where:
bonds (distance) C4'-P energy: -143.519
bonds (distance) P-C4' energy: -143.579
flat angles C4'-P-C4' energy: -158.292
flat angles P-C4'-P energy: -116.850
tors. eta vs tors. theta energy: -243.032
Dist. restrs. and SS energy: 3.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -2496.942371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.942371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.787813 (E_RNA)
where:
Base-Base interactions energy: -1743.139
where: short stacking energy: -730.494
Base-Backbone interact. energy: -1.406
local terms energy: -754.242666
where:
bonds (distance) C4'-P energy: -136.762
bonds (distance) P-C4' energy: -128.961
flat angles C4'-P-C4' energy: -152.266
flat angles P-C4'-P energy: -119.998
tors. eta vs tors. theta energy: -216.256
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: 6, replica: 1
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -2322.982548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.982548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.281227 (E_RNA)
where:
Base-Base interactions energy: -1594.739
where: short stacking energy: -662.587
Base-Backbone interact. energy: -1.498
local terms energy: -729.044846
where:
bonds (distance) C4'-P energy: -150.504
bonds (distance) P-C4' energy: -129.421
flat angles C4'-P-C4' energy: -151.310
flat angles P-C4'-P energy: -106.103
tors. eta vs tors. theta energy: -191.708
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: 7, replica: 6
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -2107.664122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.664122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.828138 (E_RNA)
where:
Base-Base interactions energy: -1446.697
where: short stacking energy: -626.015
Base-Backbone interact. energy: 3.059
local terms energy: -667.190130
where:
bonds (distance) C4'-P energy: -148.943
bonds (distance) P-C4' energy: -129.138
flat angles C4'-P-C4' energy: -136.422
flat angles P-C4'-P energy: -93.776
tors. eta vs tors. theta energy: -158.912
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: 8, replica: 5
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -2078.852485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.852485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.069525 (E_RNA)
where:
Base-Base interactions energy: -1416.944
where: short stacking energy: -590.307
Base-Backbone interact. energy: -0.448
local terms energy: -664.677698
where:
bonds (distance) C4'-P energy: -112.739
bonds (distance) P-C4' energy: -149.095
flat angles C4'-P-C4' energy: -137.557
flat angles P-C4'-P energy: -96.390
tors. eta vs tors. theta energy: -168.897
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: 9, replica: 8
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -1972.391062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.391062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.901747 (E_RNA)
where:
Base-Base interactions energy: -1351.150
where: short stacking energy: -585.033
Base-Backbone interact. energy: -3.633
local terms energy: -621.118775
where:
bonds (distance) C4'-P energy: -100.387
bonds (distance) P-C4' energy: -149.441
flat angles C4'-P-C4' energy: -142.632
flat angles P-C4'-P energy: -75.314
tors. eta vs tors. theta energy: -153.344
Dist. restrs. and SS energy: 3.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -1907.994022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.994022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.766675 (E_RNA)
where:
Base-Base interactions energy: -1286.566
where: short stacking energy: -541.701
Base-Backbone interact. energy: 0.549
local terms energy: -628.749698
where:
bonds (distance) C4'-P energy: -127.742
bonds (distance) P-C4' energy: -146.116
flat angles C4'-P-C4' energy: -135.604
flat angles P-C4'-P energy: -76.376
tors. eta vs tors. theta energy: -142.911
Dist. restrs. and SS energy: 6.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -2958.896952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2958.896952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2960.653815 (E_RNA)
where:
Base-Base interactions energy: -2071.890
where: short stacking energy: -863.626
Base-Backbone interact. energy: -0.372
local terms energy: -888.391516
where:
bonds (distance) C4'-P energy: -155.535
bonds (distance) P-C4' energy: -167.238
flat angles C4'-P-C4' energy: -183.820
flat angles P-C4'-P energy: -134.893
tors. eta vs tors. theta energy: -246.905
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: 2, replica: 10
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -2774.792338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.792338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.394845 (E_RNA)
where:
Base-Base interactions energy: -1957.425
where: short stacking energy: -820.330
Base-Backbone interact. energy: -0.877
local terms energy: -818.092921
where:
bonds (distance) C4'-P energy: -144.004
bonds (distance) P-C4' energy: -156.861
flat angles C4'-P-C4' energy: -171.389
flat angles P-C4'-P energy: -106.138
tors. eta vs tors. theta energy: -239.701
Dist. restrs. and SS energy: 1.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -2723.598700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.598700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.139073 (E_RNA)
where:
Base-Base interactions energy: -1876.877
where: short stacking energy: -793.247
Base-Backbone interact. energy: -0.446
local terms energy: -847.816099
where:
bonds (distance) C4'-P energy: -152.567
bonds (distance) P-C4' energy: -149.741
flat angles C4'-P-C4' energy: -184.686
flat angles P-C4'-P energy: -120.886
tors. eta vs tors. theta energy: -239.936
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: 4, replica: 9
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -2602.709886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.709886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.112194 (E_RNA)
where:
Base-Base interactions energy: -1792.262
where: short stacking energy: -744.610
Base-Backbone interact. energy: -1.920
local terms energy: -809.930226
where:
bonds (distance) C4'-P energy: -137.164
bonds (distance) P-C4' energy: -152.374
flat angles C4'-P-C4' energy: -178.805
flat angles P-C4'-P energy: -117.764
tors. eta vs tors. theta energy: -223.823
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: 5, replica: 3
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -2534.334944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.334944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.013304 (E_RNA)
where:
Base-Base interactions energy: -1747.312
where: short stacking energy: -725.478
Base-Backbone interact. energy: -1.026
local terms energy: -787.675313
where:
bonds (distance) C4'-P energy: -138.504
bonds (distance) P-C4' energy: -161.548
flat angles C4'-P-C4' energy: -162.089
flat angles P-C4'-P energy: -108.156
tors. eta vs tors. theta energy: -217.378
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: 6, replica: 1
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -2331.689810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.689810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.583155 (E_RNA)
where:
Base-Base interactions energy: -1604.958
where: short stacking energy: -678.034
Base-Backbone interact. energy: 2.426
local terms energy: -730.051662
where:
bonds (distance) C4'-P energy: -133.255
bonds (distance) P-C4' energy: -146.113
flat angles C4'-P-C4' energy: -163.921
flat angles P-C4'-P energy: -98.431
tors. eta vs tors. theta energy: -188.332
Dist. restrs. and SS energy: 0.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -2128.564113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.564113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.010508 (E_RNA)
where:
Base-Base interactions energy: -1450.607
where: short stacking energy: -604.789
Base-Backbone interact. energy: -3.888
local terms energy: -676.515277
where:
bonds (distance) C4'-P energy: -123.521
bonds (distance) P-C4' energy: -137.879
flat angles C4'-P-C4' energy: -159.953
flat angles P-C4'-P energy: -87.005
tors. eta vs tors. theta energy: -168.157
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: 8, replica: 6
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -2062.587693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.587693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.802879 (E_RNA)
where:
Base-Base interactions energy: -1414.470
where: short stacking energy: -603.844
Base-Backbone interact. energy: 4.250
local terms energy: -654.582933
where:
bonds (distance) C4'-P energy: -131.259
bonds (distance) P-C4' energy: -124.447
flat angles C4'-P-C4' energy: -157.103
flat angles P-C4'-P energy: -96.267
tors. eta vs tors. theta energy: -145.507
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: 8
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -1958.857839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.857839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.724469 (E_RNA)
where:
Base-Base interactions energy: -1332.518
where: short stacking energy: -553.556
Base-Backbone interact. energy: -4.592
local terms energy: -623.614820
where:
bonds (distance) C4'-P energy: -128.100
bonds (distance) P-C4' energy: -139.341
flat angles C4'-P-C4' energy: -133.138
flat angles P-C4'-P energy: -69.672
tors. eta vs tors. theta energy: -153.364
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: 10, replica: 4
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -1820.868230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.868230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.172436 (E_RNA)
where:
Base-Base interactions energy: -1212.802
where: short stacking energy: -483.019
Base-Backbone interact. energy: -1.497
local terms energy: -608.873344
where:
bonds (distance) C4'-P energy: -114.988
bonds (distance) P-C4' energy: -126.122
flat angles C4'-P-C4' energy: -141.578
flat angles P-C4'-P energy: -92.781
tors. eta vs tors. theta energy: -133.405
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: 7
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -2926.088284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2926.088284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2927.809131 (E_RNA)
where:
Base-Base interactions energy: -2050.481
where: short stacking energy: -844.881
Base-Backbone interact. energy: 2.476
local terms energy: -879.804260
where:
bonds (distance) C4'-P energy: -156.911
bonds (distance) P-C4' energy: -169.816
flat angles C4'-P-C4' energy: -181.293
flat angles P-C4'-P energy: -125.143
tors. eta vs tors. theta energy: -246.641
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: 2, replica: 10
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -2762.718080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.718080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.247651 (E_RNA)
where:
Base-Base interactions energy: -1928.460
where: short stacking energy: -837.173
Base-Backbone interact. energy: -1.452
local terms energy: -835.335402
where:
bonds (distance) C4'-P energy: -143.517
bonds (distance) P-C4' energy: -153.872
flat angles C4'-P-C4' energy: -174.142
flat angles P-C4'-P energy: -128.810
tors. eta vs tors. theta energy: -234.995
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: 3, replica: 2
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -2717.260905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.260905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.121542 (E_RNA)
where:
Base-Base interactions energy: -1904.110
where: short stacking energy: -811.307
Base-Backbone interact. energy: 1.335
local terms energy: -816.345849
where:
bonds (distance) C4'-P energy: -140.356
bonds (distance) P-C4' energy: -152.829
flat angles C4'-P-C4' energy: -170.279
flat angles P-C4'-P energy: -120.278
tors. eta vs tors. theta energy: -232.604
Dist. restrs. and SS energy: 1.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -2614.164900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.164900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.639296 (E_RNA)
where:
Base-Base interactions energy: -1793.131
where: short stacking energy: -759.365
Base-Backbone interact. energy: -1.989
local terms energy: -820.518856
where:
bonds (distance) C4'-P energy: -142.925
bonds (distance) P-C4' energy: -138.191
flat angles C4'-P-C4' energy: -186.016
flat angles P-C4'-P energy: -113.260
tors. eta vs tors. theta energy: -240.126
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: 5, replica: 3
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -2466.449259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.449259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.053427 (E_RNA)
where:
Base-Base interactions energy: -1707.576
where: short stacking energy: -705.345
Base-Backbone interact. energy: -1.278
local terms energy: -759.199279
where:
bonds (distance) C4'-P energy: -144.560
bonds (distance) P-C4' energy: -147.986
flat angles C4'-P-C4' energy: -153.982
flat angles P-C4'-P energy: -108.412
tors. eta vs tors. theta energy: -204.259
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: 1
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -2317.747683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.747683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.188627 (E_RNA)
where:
Base-Base interactions energy: -1596.973
where: short stacking energy: -663.938
Base-Backbone interact. energy: 0.925
local terms energy: -723.139989
where:
bonds (distance) C4'-P energy: -135.153
bonds (distance) P-C4' energy: -126.075
flat angles C4'-P-C4' energy: -150.961
flat angles P-C4'-P energy: -120.409
tors. eta vs tors. theta energy: -190.542
Dist. restrs. and SS energy: 1.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -2125.663240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.663240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.941840 (E_RNA)
where:
Base-Base interactions energy: -1458.285
where: short stacking energy: -612.947
Base-Backbone interact. energy: 12.379
local terms energy: -682.035404
where:
bonds (distance) C4'-P energy: -135.060
bonds (distance) P-C4' energy: -138.975
flat angles C4'-P-C4' energy: -148.433
flat angles P-C4'-P energy: -105.043
tors. eta vs tors. theta energy: -154.525
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: 8
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -2011.286180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.286180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.223949 (E_RNA)
where:
Base-Base interactions energy: -1355.628
where: short stacking energy: -553.759
Base-Backbone interact. energy: -3.400
local terms energy: -655.196303
where:
bonds (distance) C4'-P energy: -130.704
bonds (distance) P-C4' energy: -129.282
flat angles C4'-P-C4' energy: -149.675
flat angles P-C4'-P energy: -93.152
tors. eta vs tors. theta energy: -152.384
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: 9, replica: 6
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -1969.266442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.266442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.343177 (E_RNA)
where:
Base-Base interactions energy: -1312.061
where: short stacking energy: -529.015
Base-Backbone interact. energy: 2.251
local terms energy: -663.532690
where:
bonds (distance) C4'-P energy: -143.946
bonds (distance) P-C4' energy: -139.946
flat angles C4'-P-C4' energy: -150.189
flat angles P-C4'-P energy: -97.598
tors. eta vs tors. theta energy: -131.854
Dist. restrs. and SS energy: 4.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -1863.684929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.684929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.749555 (E_RNA)
where:
Base-Base interactions energy: -1266.566
where: short stacking energy: -506.598
Base-Backbone interact. energy: 0.132
local terms energy: -600.315330
where:
bonds (distance) C4'-P energy: -101.256
bonds (distance) P-C4' energy: -131.703
flat angles C4'-P-C4' energy: -152.859
flat angles P-C4'-P energy: -87.286
tors. eta vs tors. theta energy: -127.212
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: 1, replica: 7
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -2939.840743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2939.840743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2941.135815 (E_RNA)
where:
Base-Base interactions energy: -2069.122
where: short stacking energy: -841.440
Base-Backbone interact. energy: -3.580
local terms energy: -868.433756
where:
bonds (distance) C4'-P energy: -159.003
bonds (distance) P-C4' energy: -171.683
flat angles C4'-P-C4' energy: -175.402
flat angles P-C4'-P energy: -117.567
tors. eta vs tors. theta energy: -244.779
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: 10
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -2783.276688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.276688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.020233 (E_RNA)
where:
Base-Base interactions energy: -1935.522
where: short stacking energy: -813.958
Base-Backbone interact. energy: -5.294
local terms energy: -843.205012
where:
bonds (distance) C4'-P energy: -152.404
bonds (distance) P-C4' energy: -159.086
flat angles C4'-P-C4' energy: -174.549
flat angles P-C4'-P energy: -121.476
tors. eta vs tors. theta energy: -235.690
Dist. restrs. and SS energy: 0.744 (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: 2
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -2751.490021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.490021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.458267 (E_RNA)
where:
Base-Base interactions energy: -1899.939
where: short stacking energy: -773.638
Base-Backbone interact. energy: -0.417
local terms energy: -852.102164
where:
bonds (distance) C4'-P energy: -156.326
bonds (distance) P-C4' energy: -151.836
flat angles C4'-P-C4' energy: -191.709
flat angles P-C4'-P energy: -110.277
tors. eta vs tors. theta energy: -241.955
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: 4, replica: 9
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -2630.227617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.227617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.392495 (E_RNA)
where:
Base-Base interactions energy: -1815.238
where: short stacking energy: -769.723
Base-Backbone interact. energy: -1.272
local terms energy: -814.881896
where:
bonds (distance) C4'-P energy: -144.100
bonds (distance) P-C4' energy: -154.887
flat angles C4'-P-C4' energy: -167.169
flat angles P-C4'-P energy: -125.896
tors. eta vs tors. theta energy: -222.829
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: 3
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -2501.091766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.091766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.637505 (E_RNA)
where:
Base-Base interactions energy: -1734.384
where: short stacking energy: -730.409
Base-Backbone interact. energy: -1.210
local terms energy: -767.043323
where:
bonds (distance) C4'-P energy: -146.692
bonds (distance) P-C4' energy: -139.404
flat angles C4'-P-C4' energy: -163.604
flat angles P-C4'-P energy: -111.530
tors. eta vs tors. theta energy: -205.814
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: 6, replica: 1
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -2329.711014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.711014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.075107 (E_RNA)
where:
Base-Base interactions energy: -1575.722
where: short stacking energy: -666.319
Base-Backbone interact. energy: -1.084
local terms energy: -754.268924
where:
bonds (distance) C4'-P energy: -127.275
bonds (distance) P-C4' energy: -140.383
flat angles C4'-P-C4' energy: -161.863
flat angles P-C4'-P energy: -115.124
tors. eta vs tors. theta energy: -209.624
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: 5
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -2146.278712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.278712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.975802 (E_RNA)
where:
Base-Base interactions energy: -1436.530
where: short stacking energy: -591.536
Base-Backbone interact. energy: 2.569
local terms energy: -714.014922
where:
bonds (distance) C4'-P energy: -150.792
bonds (distance) P-C4' energy: -144.604
flat angles C4'-P-C4' energy: -161.763
flat angles P-C4'-P energy: -93.966
tors. eta vs tors. theta energy: -162.890
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: 8, replica: 8
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -2011.013318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.013318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.654978 (E_RNA)
where:
Base-Base interactions energy: -1386.382
where: short stacking energy: -577.969
Base-Backbone interact. energy: 2.616
local terms energy: -629.889350
where:
bonds (distance) C4'-P energy: -141.271
bonds (distance) P-C4' energy: -131.345
flat angles C4'-P-C4' energy: -146.106
flat angles P-C4'-P energy: -83.027
tors. eta vs tors. theta energy: -128.141
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: 9, replica: 6
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -2012.994441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.994441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.527864 (E_RNA)
where:
Base-Base interactions energy: -1401.849
where: short stacking energy: -568.932
Base-Backbone interact. energy: -2.996
local terms energy: -610.682318
where:
bonds (distance) C4'-P energy: -105.277
bonds (distance) P-C4' energy: -145.528
flat angles C4'-P-C4' energy: -140.313
flat angles P-C4'-P energy: -75.726
tors. eta vs tors. theta energy: -143.838
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: 10, replica: 4
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -1855.193799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.193799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.953217 (E_RNA)
where:
Base-Base interactions energy: -1258.218
where: short stacking energy: -525.263
Base-Backbone interact. energy: 8.486
local terms energy: -608.221335
where:
bonds (distance) C4'-P energy: -111.771
bonds (distance) P-C4' energy: -152.555
flat angles C4'-P-C4' energy: -135.437
flat angles P-C4'-P energy: -80.400
tors. eta vs tors. theta energy: -128.059
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: 1, replica: 7
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -2946.262690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2946.262690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2950.169232 (E_RNA)
where:
Base-Base interactions energy: -2056.233
where: short stacking energy: -852.640
Base-Backbone interact. energy: -0.949
local terms energy: -892.987793
where:
bonds (distance) C4'-P energy: -155.954
bonds (distance) P-C4' energy: -169.353
flat angles C4'-P-C4' energy: -189.671
flat angles P-C4'-P energy: -126.871
tors. eta vs tors. theta energy: -251.139
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: 2, replica: 10
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -2809.898773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.898773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.061943 (E_RNA)
where:
Base-Base interactions energy: -1952.175
where: short stacking energy: -827.589
Base-Backbone interact. energy: -2.837
local terms energy: -856.049334
where:
bonds (distance) C4'-P energy: -148.487
bonds (distance) P-C4' energy: -147.501
flat angles C4'-P-C4' energy: -190.141
flat angles P-C4'-P energy: -124.948
tors. eta vs tors. theta energy: -244.972
Dist. restrs. and SS energy: 1.163 (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: 2
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -2745.765011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.765011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.362196 (E_RNA)
where:
Base-Base interactions energy: -1933.515
where: short stacking energy: -787.273
Base-Backbone interact. energy: 1.198
local terms energy: -815.045049
where:
bonds (distance) C4'-P energy: -121.773
bonds (distance) P-C4' energy: -161.027
flat angles C4'-P-C4' energy: -176.856
flat angles P-C4'-P energy: -123.090
tors. eta vs tors. theta energy: -232.298
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: 4, replica: 9
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -2607.462802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.462802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.641912 (E_RNA)
where:
Base-Base interactions energy: -1794.434
where: short stacking energy: -737.385
Base-Backbone interact. energy: -0.923
local terms energy: -813.285229
where:
bonds (distance) C4'-P energy: -152.022
bonds (distance) P-C4' energy: -146.831
flat angles C4'-P-C4' energy: -174.625
flat angles P-C4'-P energy: -110.702
tors. eta vs tors. theta energy: -229.106
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: 5, replica: 3
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -2453.840959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.840959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.113635 (E_RNA)
where:
Base-Base interactions energy: -1687.784
where: short stacking energy: -677.147
Base-Backbone interact. energy: 3.428
local terms energy: -770.757655
where:
bonds (distance) C4'-P energy: -143.066
bonds (distance) P-C4' energy: -163.737
flat angles C4'-P-C4' energy: -159.327
flat angles P-C4'-P energy: -103.371
tors. eta vs tors. theta energy: -201.257
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: 1
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -2310.762765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.762765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.217220 (E_RNA)
where:
Base-Base interactions energy: -1570.162
where: short stacking energy: -676.028
Base-Backbone interact. energy: 0.344
local terms energy: -743.399009
where:
bonds (distance) C4'-P energy: -131.562
bonds (distance) P-C4' energy: -146.099
flat angles C4'-P-C4' energy: -153.325
flat angles P-C4'-P energy: -115.593
tors. eta vs tors. theta energy: -196.820
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: 5
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -2121.657828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.657828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.038960 (E_RNA)
where:
Base-Base interactions energy: -1446.198
where: short stacking energy: -599.713
Base-Backbone interact. energy: -3.568
local terms energy: -674.272800
where:
bonds (distance) C4'-P energy: -134.678
bonds (distance) P-C4' energy: -135.048
flat angles C4'-P-C4' energy: -147.654
flat angles P-C4'-P energy: -104.654
tors. eta vs tors. theta energy: -152.239
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: 8, replica: 8
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -1978.338190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.338190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.849695 (E_RNA)
where:
Base-Base interactions energy: -1367.326
where: short stacking energy: -565.280
Base-Backbone interact. energy: 3.719
local terms energy: -617.242129
where:
bonds (distance) C4'-P energy: -120.725
bonds (distance) P-C4' energy: -141.598
flat angles C4'-P-C4' energy: -130.211
flat angles P-C4'-P energy: -96.571
tors. eta vs tors. theta energy: -128.137
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: 9, replica: 6
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -1947.691497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.691497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.137221 (E_RNA)
where:
Base-Base interactions energy: -1323.740
where: short stacking energy: -554.629
Base-Backbone interact. energy: 0.598
local terms energy: -627.995082
where:
bonds (distance) C4'-P energy: -135.192
bonds (distance) P-C4' energy: -120.093
flat angles C4'-P-C4' energy: -147.441
flat angles P-C4'-P energy: -91.258
tors. eta vs tors. theta energy: -134.012
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: 10, replica: 4
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -1839.770748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.770748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.343396 (E_RNA)
where:
Base-Base interactions energy: -1270.101
where: short stacking energy: -528.508
Base-Backbone interact. energy: 3.235
local terms energy: -576.477903
where:
bonds (distance) C4'-P energy: -128.569
bonds (distance) P-C4' energy: -118.841
flat angles C4'-P-C4' energy: -148.521
flat angles P-C4'-P energy: -63.967
tors. eta vs tors. theta energy: -116.580
Dist. restrs. and SS energy: 3.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -2983.970762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2983.970762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2986.168182 (E_RNA)
where:
Base-Base interactions energy: -2095.103
where: short stacking energy: -882.391
Base-Backbone interact. energy: -6.331
local terms energy: -884.734326
where:
bonds (distance) C4'-P energy: -142.288
bonds (distance) P-C4' energy: -178.962
flat angles C4'-P-C4' energy: -185.424
flat angles P-C4'-P energy: -124.861
tors. eta vs tors. theta energy: -253.200
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: 10
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -2778.376450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.376450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.960634 (E_RNA)
where:
Base-Base interactions energy: -1905.707
where: short stacking energy: -806.812
Base-Backbone interact. energy: -4.893
local terms energy: -869.360907
where:
bonds (distance) C4'-P energy: -162.059
bonds (distance) P-C4' energy: -155.187
flat angles C4'-P-C4' energy: -185.415
flat angles P-C4'-P energy: -126.183
tors. eta vs tors. theta energy: -240.517
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: 3, replica: 2
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -2729.825031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.825031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.074538 (E_RNA)
where:
Base-Base interactions energy: -1888.302
where: short stacking energy: -760.107
Base-Backbone interact. energy: -2.209
local terms energy: -842.563625
where:
bonds (distance) C4'-P energy: -170.855
bonds (distance) P-C4' energy: -150.423
flat angles C4'-P-C4' energy: -172.251
flat angles P-C4'-P energy: -116.085
tors. eta vs tors. theta energy: -232.950
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: 4, replica: 9
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -2627.988719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.988719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.867753 (E_RNA)
where:
Base-Base interactions energy: -1822.725
where: short stacking energy: -764.826
Base-Backbone interact. energy: -0.573
local terms energy: -806.569587
where:
bonds (distance) C4'-P energy: -154.429
bonds (distance) P-C4' energy: -160.412
flat angles C4'-P-C4' energy: -157.986
flat angles P-C4'-P energy: -107.705
tors. eta vs tors. theta energy: -226.038
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: 5, replica: 3
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -2500.486123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.486123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.146116 (E_RNA)
where:
Base-Base interactions energy: -1729.387
where: short stacking energy: -720.657
Base-Backbone interact. energy: -2.600
local terms energy: -772.159603
where:
bonds (distance) C4'-P energy: -137.747
bonds (distance) P-C4' energy: -145.906
flat angles C4'-P-C4' energy: -165.490
flat angles P-C4'-P energy: -116.294
tors. eta vs tors. theta energy: -206.723
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: 6, replica: 1
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -2332.951331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.951331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.300019 (E_RNA)
where:
Base-Base interactions energy: -1585.758
where: short stacking energy: -691.945
Base-Backbone interact. energy: -1.499
local terms energy: -748.043287
where:
bonds (distance) C4'-P energy: -123.864
bonds (distance) P-C4' energy: -147.019
flat angles C4'-P-C4' energy: -171.280
flat angles P-C4'-P energy: -104.240
tors. eta vs tors. theta energy: -201.639
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: 7, replica: 5
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -2083.788357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.788357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.214302 (E_RNA)
where:
Base-Base interactions energy: -1395.605
where: short stacking energy: -610.534
Base-Backbone interact. energy: -0.039
local terms energy: -692.570207
where:
bonds (distance) C4'-P energy: -121.221
bonds (distance) P-C4' energy: -137.508
flat angles C4'-P-C4' energy: -162.425
flat angles P-C4'-P energy: -107.038
tors. eta vs tors. theta energy: -164.379
Dist. restrs. and SS energy: 4.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -2039.262117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.262117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.080921 (E_RNA)
where:
Base-Base interactions energy: -1364.034
where: short stacking energy: -577.887
Base-Backbone interact. energy: 4.521
local terms energy: -682.567218
where:
bonds (distance) C4'-P energy: -134.849
bonds (distance) P-C4' energy: -140.657
flat angles C4'-P-C4' energy: -150.146
flat angles P-C4'-P energy: -94.153
tors. eta vs tors. theta energy: -162.762
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: 9, replica: 6
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -1947.563228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.563228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.041796 (E_RNA)
where:
Base-Base interactions energy: -1325.212
where: short stacking energy: -584.652
Base-Backbone interact. energy: 0.869
local terms energy: -625.698928
where:
bonds (distance) C4'-P energy: -111.304
bonds (distance) P-C4' energy: -129.662
flat angles C4'-P-C4' energy: -159.801
flat angles P-C4'-P energy: -80.296
tors. eta vs tors. theta energy: -144.636
Dist. restrs. and SS energy: 2.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -1828.495756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.495756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.507918 (E_RNA)
where:
Base-Base interactions energy: -1256.161
where: short stacking energy: -515.299
Base-Backbone interact. energy: 5.415
local terms energy: -587.761502
where:
bonds (distance) C4'-P energy: -115.035
bonds (distance) P-C4' energy: -135.057
flat angles C4'-P-C4' energy: -142.408
flat angles P-C4'-P energy: -80.849
tors. eta vs tors. theta energy: -114.414
Dist. restrs. and SS energy: 10.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -2959.524807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2959.524807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2961.587119 (E_RNA)
where:
Base-Base interactions energy: -2061.437
where: short stacking energy: -859.905
Base-Backbone interact. energy: -1.231
local terms energy: -898.918753
where:
bonds (distance) C4'-P energy: -164.434
bonds (distance) P-C4' energy: -175.324
flat angles C4'-P-C4' energy: -174.616
flat angles P-C4'-P energy: -130.014
tors. eta vs tors. theta energy: -254.530
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: 10
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -2822.871651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.871651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.486636 (E_RNA)
where:
Base-Base interactions energy: -1977.621
where: short stacking energy: -815.170
Base-Backbone interact. energy: -3.947
local terms energy: -842.918555
where:
bonds (distance) C4'-P energy: -146.789
bonds (distance) P-C4' energy: -159.841
flat angles C4'-P-C4' energy: -178.529
flat angles P-C4'-P energy: -115.879
tors. eta vs tors. theta energy: -241.880
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: 2
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -2718.969944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.969944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.737993 (E_RNA)
where:
Base-Base interactions energy: -1910.638
where: short stacking energy: -785.292
Base-Backbone interact. energy: -0.585
local terms energy: -809.515270
where:
bonds (distance) C4'-P energy: -149.615
bonds (distance) P-C4' energy: -143.207
flat angles C4'-P-C4' energy: -165.182
flat angles P-C4'-P energy: -107.510
tors. eta vs tors. theta energy: -244.001
Dist. restrs. and SS energy: 1.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -2592.055149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.055149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.305314 (E_RNA)
where:
Base-Base interactions energy: -1780.085
where: short stacking energy: -764.237
Base-Backbone interact. energy: -0.483
local terms energy: -813.737611
where:
bonds (distance) C4'-P energy: -143.681
bonds (distance) P-C4' energy: -161.760
flat angles C4'-P-C4' energy: -166.583
flat angles P-C4'-P energy: -107.245
tors. eta vs tors. theta energy: -234.468
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: 5, replica: 3
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -2454.411448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.411448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.830907 (E_RNA)
where:
Base-Base interactions energy: -1704.091
where: short stacking energy: -730.992
Base-Backbone interact. energy: -1.131
local terms energy: -751.608836
where:
bonds (distance) C4'-P energy: -127.866
bonds (distance) P-C4' energy: -143.287
flat angles C4'-P-C4' energy: -149.989
flat angles P-C4'-P energy: -126.276
tors. eta vs tors. theta energy: -204.191
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: 6, replica: 1
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -2379.284976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.284976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.404043 (E_RNA)
where:
Base-Base interactions energy: -1641.286
where: short stacking energy: -711.865
Base-Backbone interact. energy: -0.295
local terms energy: -738.823265
where:
bonds (distance) C4'-P energy: -140.641
bonds (distance) P-C4' energy: -118.859
flat angles C4'-P-C4' energy: -164.737
flat angles P-C4'-P energy: -107.403
tors. eta vs tors. theta energy: -207.183
Dist. restrs. and SS energy: 1.119 (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: 5
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -2112.536773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.536773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.533625 (E_RNA)
where:
Base-Base interactions energy: -1395.379
where: short stacking energy: -616.730
Base-Backbone interact. energy: 3.878
local terms energy: -723.031723
where:
bonds (distance) C4'-P energy: -110.230
bonds (distance) P-C4' energy: -145.647
flat angles C4'-P-C4' energy: -161.593
flat angles P-C4'-P energy: -117.858
tors. eta vs tors. theta energy: -187.703
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: 8, replica: 8
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -2079.770477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.770477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.764048 (E_RNA)
where:
Base-Base interactions energy: -1439.930
where: short stacking energy: -614.358
Base-Backbone interact. energy: 2.223
local terms energy: -645.057675
where:
bonds (distance) C4'-P energy: -126.082
bonds (distance) P-C4' energy: -123.989
flat angles C4'-P-C4' energy: -154.987
flat angles P-C4'-P energy: -85.507
tors. eta vs tors. theta energy: -154.493
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: 9, replica: 6
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -1977.155725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.155725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.559199 (E_RNA)
where:
Base-Base interactions energy: -1358.837
where: short stacking energy: -570.841
Base-Backbone interact. energy: 2.537
local terms energy: -626.259307
where:
bonds (distance) C4'-P energy: -133.262
bonds (distance) P-C4' energy: -111.730
flat angles C4'-P-C4' energy: -158.670
flat angles P-C4'-P energy: -71.779
tors. eta vs tors. theta energy: -150.819
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: 10, replica: 4
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -1823.223695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.223695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.189562 (E_RNA)
where:
Base-Base interactions energy: -1265.839
where: short stacking energy: -509.244
Base-Backbone interact. energy: 3.892
local terms energy: -566.241734
where:
bonds (distance) C4'-P energy: -91.105
bonds (distance) P-C4' energy: -138.826
flat angles C4'-P-C4' energy: -140.672
flat angles P-C4'-P energy: -87.433
tors. eta vs tors. theta energy: -108.206
Dist. restrs. and SS energy: 4.966 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -2962.654698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2962.654698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2964.243921 (E_RNA)
where:
Base-Base interactions energy: -2068.923
where: short stacking energy: -846.480
Base-Backbone interact. energy: -4.192
local terms energy: -891.129022
where:
bonds (distance) C4'-P energy: -169.619
bonds (distance) P-C4' energy: -170.901
flat angles C4'-P-C4' energy: -176.484
flat angles P-C4'-P energy: -119.199
tors. eta vs tors. theta energy: -254.927
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: 2, replica: 10
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -2803.574978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.574978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.251974 (E_RNA)
where:
Base-Base interactions energy: -1940.336
where: short stacking energy: -787.175
Base-Backbone interact. energy: -5.852
local terms energy: -859.063889
where:
bonds (distance) C4'-P energy: -146.801
bonds (distance) P-C4' energy: -172.523
flat angles C4'-P-C4' energy: -176.838
flat angles P-C4'-P energy: -130.914
tors. eta vs tors. theta energy: -231.988
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: 3, replica: 2
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -2765.075241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.075241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.546830 (E_RNA)
where:
Base-Base interactions energy: -1922.423
where: short stacking energy: -787.942
Base-Backbone interact. energy: -1.055
local terms energy: -844.068887
where:
bonds (distance) C4'-P energy: -147.848
bonds (distance) P-C4' energy: -161.819
flat angles C4'-P-C4' energy: -161.263
flat angles P-C4'-P energy: -133.416
tors. eta vs tors. theta energy: -239.724
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: 4, replica: 9
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -2645.457591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.457591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.912352 (E_RNA)
where:
Base-Base interactions energy: -1835.435
where: short stacking energy: -761.635
Base-Backbone interact. energy: -0.569
local terms energy: -810.908375
where:
bonds (distance) C4'-P energy: -158.405
bonds (distance) P-C4' energy: -150.526
flat angles C4'-P-C4' energy: -170.442
flat angles P-C4'-P energy: -109.066
tors. eta vs tors. theta energy: -222.469
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: 5, replica: 3
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -2498.325081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.325081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.148406 (E_RNA)
where:
Base-Base interactions energy: -1748.284
where: short stacking energy: -712.497
Base-Backbone interact. energy: 2.812
local terms energy: -755.677035
where:
bonds (distance) C4'-P energy: -142.842
bonds (distance) P-C4' energy: -166.934
flat angles C4'-P-C4' energy: -140.181
flat angles P-C4'-P energy: -105.709
tors. eta vs tors. theta energy: -200.012
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: 6, replica: 1
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -2306.677009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.677009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.485712 (E_RNA)
where:
Base-Base interactions energy: -1581.366
where: short stacking energy: -691.519
Base-Backbone interact. energy: 7.442
local terms energy: -735.562273
where:
bonds (distance) C4'-P energy: -127.686
bonds (distance) P-C4' energy: -121.434
flat angles C4'-P-C4' energy: -182.200
flat angles P-C4'-P energy: -101.373
tors. eta vs tors. theta energy: -202.870
Dist. restrs. and SS energy: 2.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -2117.934990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.934990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.746377 (E_RNA)
where:
Base-Base interactions energy: -1431.608
where: short stacking energy: -620.429
Base-Backbone interact. energy: 0.635
local terms energy: -689.773579
where:
bonds (distance) C4'-P energy: -142.494
bonds (distance) P-C4' energy: -128.833
flat angles C4'-P-C4' energy: -153.672
flat angles P-C4'-P energy: -107.548
tors. eta vs tors. theta energy: -157.225
Dist. restrs. and SS energy: 2.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -2020.696031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.696031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.383303 (E_RNA)
where:
Base-Base interactions energy: -1393.114
where: short stacking energy: -622.592
Base-Backbone interact. energy: 4.253
local terms energy: -634.522373
where:
bonds (distance) C4'-P energy: -143.345
bonds (distance) P-C4' energy: -103.944
flat angles C4'-P-C4' energy: -132.834
flat angles P-C4'-P energy: -79.052
tors. eta vs tors. theta energy: -175.347
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: 9, replica: 4
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -1964.383614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.383614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.800564 (E_RNA)
where:
Base-Base interactions energy: -1337.694
where: short stacking energy: -569.580
Base-Backbone interact. energy: -2.048
local terms energy: -628.058166
where:
bonds (distance) C4'-P energy: -136.304
bonds (distance) P-C4' energy: -125.722
flat angles C4'-P-C4' energy: -138.788
flat angles P-C4'-P energy: -86.502
tors. eta vs tors. theta energy: -140.743
Dist. restrs. and SS energy: 3.417 (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: 6
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -1913.055900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.055900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.268237 (E_RNA)
where:
Base-Base interactions energy: -1274.638
where: short stacking energy: -534.435
Base-Backbone interact. energy: -2.607
local terms energy: -643.023032
where:
bonds (distance) C4'-P energy: -139.290
bonds (distance) P-C4' energy: -133.200
flat angles C4'-P-C4' energy: -131.216
flat angles P-C4'-P energy: -92.531
tors. eta vs tors. theta energy: -146.787
Dist. restrs. and SS energy: 7.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -2955.828358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2955.828358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2958.478595 (E_RNA)
where:
Base-Base interactions energy: -2064.720
where: short stacking energy: -863.233
Base-Backbone interact. energy: -3.561
local terms energy: -890.196943
where:
bonds (distance) C4'-P energy: -158.559
bonds (distance) P-C4' energy: -173.598
flat angles C4'-P-C4' energy: -190.332
flat angles P-C4'-P energy: -119.465
tors. eta vs tors. theta energy: -248.243
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: 10
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -2798.830371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.830371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.882576 (E_RNA)
where:
Base-Base interactions energy: -1952.102
where: short stacking energy: -821.523
Base-Backbone interact. energy: -2.084
local terms energy: -846.696600
where:
bonds (distance) C4'-P energy: -153.030
bonds (distance) P-C4' energy: -146.796
flat angles C4'-P-C4' energy: -179.017
flat angles P-C4'-P energy: -116.808
tors. eta vs tors. theta energy: -251.046
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: 3, replica: 2
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -2699.842481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.842481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.441980 (E_RNA)
where:
Base-Base interactions energy: -1888.964
where: short stacking energy: -798.087
Base-Backbone interact. energy: -3.749
local terms energy: -810.728631
where:
bonds (distance) C4'-P energy: -138.368
bonds (distance) P-C4' energy: -151.195
flat angles C4'-P-C4' energy: -179.798
flat angles P-C4'-P energy: -109.619
tors. eta vs tors. theta energy: -231.749
Dist. restrs. and SS energy: 3.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -2659.226463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.226463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.834022 (E_RNA)
where:
Base-Base interactions energy: -1823.461
where: short stacking energy: -775.197
Base-Backbone interact. energy: -2.634
local terms energy: -835.738252
where:
bonds (distance) C4'-P energy: -146.188
bonds (distance) P-C4' energy: -154.944
flat angles C4'-P-C4' energy: -177.610
flat angles P-C4'-P energy: -124.631
tors. eta vs tors. theta energy: -232.366
Dist. restrs. and SS energy: 2.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -2487.302490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.302490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.368527 (E_RNA)
where:
Base-Base interactions energy: -1713.817
where: short stacking energy: -707.572
Base-Backbone interact. energy: -0.727
local terms energy: -774.823677
where:
bonds (distance) C4'-P energy: -158.673
bonds (distance) P-C4' energy: -134.336
flat angles C4'-P-C4' energy: -168.262
flat angles P-C4'-P energy: -112.007
tors. eta vs tors. theta energy: -201.547
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: 6, replica: 1
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -2283.338155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.338155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.130925 (E_RNA)
where:
Base-Base interactions energy: -1580.942
where: short stacking energy: -652.125
Base-Backbone interact. energy: 6.304
local terms energy: -710.493353
where:
bonds (distance) C4'-P energy: -141.101
bonds (distance) P-C4' energy: -121.098
flat angles C4'-P-C4' energy: -163.199
flat angles P-C4'-P energy: -93.733
tors. eta vs tors. theta energy: -191.362
Dist. restrs. and SS energy: 1.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -2128.650667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.650667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.723248 (E_RNA)
where:
Base-Base interactions energy: -1439.830
where: short stacking energy: -609.004
Base-Backbone interact. energy: 10.578
local terms energy: -701.470955
where:
bonds (distance) C4'-P energy: -145.017
bonds (distance) P-C4' energy: -138.122
flat angles C4'-P-C4' energy: -162.385
flat angles P-C4'-P energy: -88.301
tors. eta vs tors. theta energy: -167.646
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: 8, replica: 5
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -1978.445563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.445563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.325016 (E_RNA)
where:
Base-Base interactions energy: -1360.848
where: short stacking energy: -571.117
Base-Backbone interact. energy: 0.070
local terms energy: -619.546696
where:
bonds (distance) C4'-P energy: -113.988
bonds (distance) P-C4' energy: -128.534
flat angles C4'-P-C4' energy: -143.721
flat angles P-C4'-P energy: -96.997
tors. eta vs tors. theta energy: -136.308
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: 9, replica: 4
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -1970.280640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.280640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.719592 (E_RNA)
where:
Base-Base interactions energy: -1337.900
where: short stacking energy: -559.212
Base-Backbone interact. energy: 9.274
local terms energy: -644.093456
where:
bonds (distance) C4'-P energy: -131.916
bonds (distance) P-C4' energy: -130.469
flat angles C4'-P-C4' energy: -136.003
flat angles P-C4'-P energy: -90.419
tors. eta vs tors. theta energy: -155.287
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: 6
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -1890.072788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.072788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.122211 (E_RNA)
where:
Base-Base interactions energy: -1280.836
where: short stacking energy: -487.501
Base-Backbone interact. energy: -2.838
local terms energy: -608.449041
where:
bonds (distance) C4'-P energy: -105.014
bonds (distance) P-C4' energy: -163.918
flat angles C4'-P-C4' energy: -140.500
flat angles P-C4'-P energy: -82.523
tors. eta vs tors. theta energy: -116.494
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: 1, replica: 7
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -2976.598369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2976.598369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2978.295799 (E_RNA)
where:
Base-Base interactions energy: -2069.913
where: short stacking energy: -825.738
Base-Backbone interact. energy: -2.489
local terms energy: -905.893918
where:
bonds (distance) C4'-P energy: -172.182
bonds (distance) P-C4' energy: -179.304
flat angles C4'-P-C4' energy: -188.210
flat angles P-C4'-P energy: -122.803
tors. eta vs tors. theta energy: -243.395
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: 10
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -2814.625735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.625735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.142038 (E_RNA)
where:
Base-Base interactions energy: -1954.118
where: short stacking energy: -823.637
Base-Backbone interact. energy: -2.973
local terms energy: -859.051142
where:
bonds (distance) C4'-P energy: -168.961
bonds (distance) P-C4' energy: -151.535
flat angles C4'-P-C4' energy: -178.736
flat angles P-C4'-P energy: -121.855
tors. eta vs tors. theta energy: -237.964
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: 3, replica: 2
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -2716.804772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.804772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.519109 (E_RNA)
where:
Base-Base interactions energy: -1928.572
where: short stacking energy: -800.849
Base-Backbone interact. energy: -2.725
local terms energy: -788.221440
where:
bonds (distance) C4'-P energy: -133.121
bonds (distance) P-C4' energy: -137.791
flat angles C4'-P-C4' energy: -172.063
flat angles P-C4'-P energy: -107.115
tors. eta vs tors. theta energy: -238.132
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: 4, replica: 9
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -2624.858106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.858106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.775591 (E_RNA)
where:
Base-Base interactions energy: -1812.052
where: short stacking energy: -762.608
Base-Backbone interact. energy: -3.486
local terms energy: -811.237942
where:
bonds (distance) C4'-P energy: -136.841
bonds (distance) P-C4' energy: -154.811
flat angles C4'-P-C4' energy: -178.638
flat angles P-C4'-P energy: -118.227
tors. eta vs tors. theta energy: -222.721
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: 5, replica: 3
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -2500.851795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.851795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.748772 (E_RNA)
where:
Base-Base interactions energy: -1757.625
where: short stacking energy: -729.096
Base-Backbone interact. energy: -0.748
local terms energy: -745.375748
where:
bonds (distance) C4'-P energy: -136.562
bonds (distance) P-C4' energy: -123.758
flat angles C4'-P-C4' energy: -173.654
flat angles P-C4'-P energy: -108.030
tors. eta vs tors. theta energy: -203.372
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: 6, replica: 1
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -2270.251316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.251316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.630871 (E_RNA)
where:
Base-Base interactions energy: -1537.006
where: short stacking energy: -651.853
Base-Backbone interact. energy: 5.068
local terms energy: -739.692886
where:
bonds (distance) C4'-P energy: -145.270
bonds (distance) P-C4' energy: -149.506
flat angles C4'-P-C4' energy: -165.450
flat angles P-C4'-P energy: -103.935
tors. eta vs tors. theta energy: -175.531
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: 7, replica: 8
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -2146.176698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.176698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.624133 (E_RNA)
where:
Base-Base interactions energy: -1442.332
where: short stacking energy: -619.509
Base-Backbone interact. energy: -0.773
local terms energy: -706.518796
where:
bonds (distance) C4'-P energy: -146.469
bonds (distance) P-C4' energy: -138.196
flat angles C4'-P-C4' energy: -152.619
flat angles P-C4'-P energy: -88.863
tors. eta vs tors. theta energy: -180.372
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: 8, replica: 5
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -2026.798007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.798007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.586441 (E_RNA)
where:
Base-Base interactions energy: -1364.639
where: short stacking energy: -574.766
Base-Backbone interact. energy: -2.595
local terms energy: -661.352866
where:
bonds (distance) C4'-P energy: -136.171
bonds (distance) P-C4' energy: -138.523
flat angles C4'-P-C4' energy: -142.631
flat angles P-C4'-P energy: -95.840
tors. eta vs tors. theta energy: -148.187
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: 4
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -1934.681574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.681574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.413387 (E_RNA)
where:
Base-Base interactions energy: -1288.300
where: short stacking energy: -559.111
Base-Backbone interact. energy: 2.710
local terms energy: -652.822617
where:
bonds (distance) C4'-P energy: -119.080
bonds (distance) P-C4' energy: -150.302
flat angles C4'-P-C4' energy: -154.253
flat angles P-C4'-P energy: -85.685
tors. eta vs tors. theta energy: -143.502
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: 10, replica: 6
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -1827.524506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.524506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.148805 (E_RNA)
where:
Base-Base interactions energy: -1235.904
where: short stacking energy: -496.805
Base-Backbone interact. energy: -5.278
local terms energy: -590.966918
where:
bonds (distance) C4'-P energy: -98.059
bonds (distance) P-C4' energy: -134.928
flat angles C4'-P-C4' energy: -144.978
flat angles P-C4'-P energy: -85.956
tors. eta vs tors. theta energy: -127.047
Dist. restrs. and SS energy: 4.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -2956.918319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2956.918319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2958.785881 (E_RNA)
where:
Base-Base interactions energy: -2095.009
where: short stacking energy: -855.860
Base-Backbone interact. energy: 3.182
local terms energy: -866.958627
where:
bonds (distance) C4'-P energy: -152.651
bonds (distance) P-C4' energy: -162.119
flat angles C4'-P-C4' energy: -191.491
flat angles P-C4'-P energy: -115.240
tors. eta vs tors. theta energy: -245.457
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: 2, replica: 10
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -2802.225983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.225983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.453283 (E_RNA)
where:
Base-Base interactions energy: -1929.398
where: short stacking energy: -810.153
Base-Backbone interact. energy: -4.376
local terms energy: -869.679041
where:
bonds (distance) C4'-P energy: -149.952
bonds (distance) P-C4' energy: -166.345
flat angles C4'-P-C4' energy: -183.161
flat angles P-C4'-P energy: -120.835
tors. eta vs tors. theta energy: -249.386
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: 2
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -2735.062130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.062130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.421551 (E_RNA)
where:
Base-Base interactions energy: -1926.691
where: short stacking energy: -797.045
Base-Backbone interact. energy: -1.873
local terms energy: -808.857612
where:
bonds (distance) C4'-P energy: -151.253
bonds (distance) P-C4' energy: -141.140
flat angles C4'-P-C4' energy: -168.412
flat angles P-C4'-P energy: -114.893
tors. eta vs tors. theta energy: -233.160
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: 4, replica: 9
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -2575.676535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.676535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.804777 (E_RNA)
where:
Base-Base interactions energy: -1803.578
where: short stacking energy: -783.549
Base-Backbone interact. energy: -0.888
local terms energy: -773.339158
where:
bonds (distance) C4'-P energy: -137.664
bonds (distance) P-C4' energy: -140.924
flat angles C4'-P-C4' energy: -157.580
flat angles P-C4'-P energy: -104.601
tors. eta vs tors. theta energy: -232.571
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: 5, replica: 3
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -2506.033319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.033319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.954433 (E_RNA)
where:
Base-Base interactions energy: -1752.260
where: short stacking energy: -697.764
Base-Backbone interact. energy: 1.697
local terms energy: -757.391226
where:
bonds (distance) C4'-P energy: -139.883
bonds (distance) P-C4' energy: -143.588
flat angles C4'-P-C4' energy: -168.088
flat angles P-C4'-P energy: -107.374
tors. eta vs tors. theta energy: -198.459
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: 1
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -2289.971909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.971909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.741000 (E_RNA)
where:
Base-Base interactions energy: -1593.304
where: short stacking energy: -667.049
Base-Backbone interact. energy: -0.239
local terms energy: -698.198016
where:
bonds (distance) C4'-P energy: -117.530
bonds (distance) P-C4' energy: -139.307
flat angles C4'-P-C4' energy: -152.694
flat angles P-C4'-P energy: -100.261
tors. eta vs tors. theta energy: -188.406
Dist. restrs. and SS energy: 1.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -2104.234322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.234322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.320994 (E_RNA)
where:
Base-Base interactions energy: -1434.384
where: short stacking energy: -625.396
Base-Backbone interact. energy: -1.994
local terms energy: -669.943741
where:
bonds (distance) C4'-P energy: -134.670
bonds (distance) P-C4' energy: -113.051
flat angles C4'-P-C4' energy: -164.077
flat angles P-C4'-P energy: -94.820
tors. eta vs tors. theta energy: -163.326
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: 8, replica: 5
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -1998.320000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.320000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.671513 (E_RNA)
where:
Base-Base interactions energy: -1349.452
where: short stacking energy: -568.349
Base-Backbone interact. energy: 1.141
local terms energy: -652.360219
where:
bonds (distance) C4'-P energy: -121.630
bonds (distance) P-C4' energy: -141.086
flat angles C4'-P-C4' energy: -143.226
flat angles P-C4'-P energy: -90.419
tors. eta vs tors. theta energy: -155.998
Dist. restrs. and SS energy: 2.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -1965.345406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.345406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.374276 (E_RNA)
where:
Base-Base interactions energy: -1353.672
where: short stacking energy: -566.885
Base-Backbone interact. energy: 3.500
local terms energy: -619.202244
where:
bonds (distance) C4'-P energy: -129.737
bonds (distance) P-C4' energy: -141.501
flat angles C4'-P-C4' energy: -134.954
flat angles P-C4'-P energy: -82.274
tors. eta vs tors. theta energy: -130.737
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: 10, replica: 6
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -1850.515524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.515524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.939217 (E_RNA)
where:
Base-Base interactions energy: -1275.041
where: short stacking energy: -513.794
Base-Backbone interact. energy: -1.124
local terms energy: -581.773975
where:
bonds (distance) C4'-P energy: -124.607
bonds (distance) P-C4' energy: -101.505
flat angles C4'-P-C4' energy: -139.991
flat angles P-C4'-P energy: -85.200
tors. eta vs tors. theta energy: -130.470
Dist. restrs. and SS energy: 7.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -2939.536572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2939.536572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2941.277301 (E_RNA)
where:
Base-Base interactions energy: -2072.988
where: short stacking energy: -846.764
Base-Backbone interact. energy: -0.458
local terms energy: -867.831412
where:
bonds (distance) C4'-P energy: -159.514
bonds (distance) P-C4' energy: -170.509
flat angles C4'-P-C4' energy: -188.339
flat angles P-C4'-P energy: -113.646
tors. eta vs tors. theta energy: -235.823
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: 2, replica: 10
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -2795.347099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.347099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.977443 (E_RNA)
where:
Base-Base interactions energy: -1931.638
where: short stacking energy: -821.409
Base-Backbone interact. energy: -4.057
local terms energy: -861.282513
where:
bonds (distance) C4'-P energy: -165.570
bonds (distance) P-C4' energy: -159.884
flat angles C4'-P-C4' energy: -184.730
flat angles P-C4'-P energy: -112.892
tors. eta vs tors. theta energy: -238.207
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: 2
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -2740.575994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.575994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.726828 (E_RNA)
where:
Base-Base interactions energy: -1917.571
where: short stacking energy: -817.274
Base-Backbone interact. energy: -2.295
local terms energy: -823.860710
where:
bonds (distance) C4'-P energy: -149.035
bonds (distance) P-C4' energy: -151.122
flat angles C4'-P-C4' energy: -175.664
flat angles P-C4'-P energy: -110.512
tors. eta vs tors. theta energy: -237.528
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: 4, replica: 9
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -2576.147609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.147609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.774471 (E_RNA)
where:
Base-Base interactions energy: -1770.573
where: short stacking energy: -758.656
Base-Backbone interact. energy: -4.109
local terms energy: -804.092638
where:
bonds (distance) C4'-P energy: -157.681
bonds (distance) P-C4' energy: -158.806
flat angles C4'-P-C4' energy: -165.364
flat angles P-C4'-P energy: -101.640
tors. eta vs tors. theta energy: -220.602
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: 5, replica: 3
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -2503.973381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.973381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.758705 (E_RNA)
where:
Base-Base interactions energy: -1742.531
where: short stacking energy: -715.089
Base-Backbone interact. energy: 2.674
local terms energy: -766.901256
where:
bonds (distance) C4'-P energy: -141.727
bonds (distance) P-C4' energy: -148.393
flat angles C4'-P-C4' energy: -173.094
flat angles P-C4'-P energy: -108.860
tors. eta vs tors. theta energy: -194.827
Dist. restrs. and SS energy: 2.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -2229.962783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.962783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.026492 (E_RNA)
where:
Base-Base interactions energy: -1522.284
where: short stacking energy: -625.722
Base-Backbone interact. energy: 0.705
local terms energy: -710.448217
where:
bonds (distance) C4'-P energy: -140.208
bonds (distance) P-C4' energy: -138.711
flat angles C4'-P-C4' energy: -163.512
flat angles P-C4'-P energy: -101.707
tors. eta vs tors. theta energy: -166.309
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: 7, replica: 8
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -2123.701286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.701286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.040972 (E_RNA)
where:
Base-Base interactions energy: -1383.361
where: short stacking energy: -596.504
Base-Backbone interact. energy: -3.568
local terms energy: -738.111972
where:
bonds (distance) C4'-P energy: -137.284
bonds (distance) P-C4' energy: -164.691
flat angles C4'-P-C4' energy: -174.055
flat angles P-C4'-P energy: -90.136
tors. eta vs tors. theta energy: -171.946
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: 8, replica: 5
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -2027.382172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.382172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.629755 (E_RNA)
where:
Base-Base interactions energy: -1360.177
where: short stacking energy: -560.648
Base-Backbone interact. energy: 1.108
local terms energy: -670.560930
where:
bonds (distance) C4'-P energy: -140.005
bonds (distance) P-C4' energy: -126.521
flat angles C4'-P-C4' energy: -151.376
flat angles P-C4'-P energy: -90.941
tors. eta vs tors. theta energy: -161.718
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: 4
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -1970.499826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.499826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.122293 (E_RNA)
where:
Base-Base interactions energy: -1331.972
where: short stacking energy: -551.135
Base-Backbone interact. energy: -5.831
local terms energy: -637.318939
where:
bonds (distance) C4'-P energy: -134.939
bonds (distance) P-C4' energy: -136.899
flat angles C4'-P-C4' energy: -144.605
flat angles P-C4'-P energy: -80.024
tors. eta vs tors. theta energy: -140.851
Dist. restrs. and SS energy: 4.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -1896.364616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.364616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.852339 (E_RNA)
where:
Base-Base interactions energy: -1300.929
where: short stacking energy: -556.394
Base-Backbone interact. energy: -1.363
local terms energy: -596.560943
where:
bonds (distance) C4'-P energy: -112.594
bonds (distance) P-C4' energy: -123.050
flat angles C4'-P-C4' energy: -133.281
flat angles P-C4'-P energy: -74.411
tors. eta vs tors. theta energy: -153.225
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: 1, replica: 7
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -2957.376059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2957.376059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2959.162314 (E_RNA)
where:
Base-Base interactions energy: -2071.367
where: short stacking energy: -847.070
Base-Backbone interact. energy: -4.291
local terms energy: -883.504514
where:
bonds (distance) C4'-P energy: -171.969
bonds (distance) P-C4' energy: -161.436
flat angles C4'-P-C4' energy: -175.851
flat angles P-C4'-P energy: -117.486
tors. eta vs tors. theta energy: -256.763
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: 2, replica: 10
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -2788.590733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.590733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.406791 (E_RNA)
where:
Base-Base interactions energy: -1914.310
where: short stacking energy: -805.617
Base-Backbone interact. energy: -3.023
local terms energy: -873.072942
where:
bonds (distance) C4'-P energy: -160.916
bonds (distance) P-C4' energy: -156.093
flat angles C4'-P-C4' energy: -185.220
flat angles P-C4'-P energy: -132.929
tors. eta vs tors. theta energy: -237.916
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: 2
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -2734.905645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.905645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.607864 (E_RNA)
where:
Base-Base interactions energy: -1904.036
where: short stacking energy: -804.566
Base-Backbone interact. energy: 3.681
local terms energy: -836.252295
where:
bonds (distance) C4'-P energy: -153.890
bonds (distance) P-C4' energy: -149.830
flat angles C4'-P-C4' energy: -183.242
flat angles P-C4'-P energy: -123.756
tors. eta vs tors. theta energy: -225.534
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: 4, replica: 9
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -2619.207963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.207963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.800505 (E_RNA)
where:
Base-Base interactions energy: -1812.146
where: short stacking energy: -759.828
Base-Backbone interact. energy: 0.211
local terms energy: -809.866044
where:
bonds (distance) C4'-P energy: -163.989
bonds (distance) P-C4' energy: -141.095
flat angles C4'-P-C4' energy: -166.850
flat angles P-C4'-P energy: -106.539
tors. eta vs tors. theta energy: -231.393
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: 5, replica: 3
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -2509.795245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.795245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.399023 (E_RNA)
where:
Base-Base interactions energy: -1701.205
where: short stacking energy: -717.173
Base-Backbone interact. energy: -2.194
local terms energy: -807.999954
where:
bonds (distance) C4'-P energy: -145.983
bonds (distance) P-C4' energy: -153.470
flat angles C4'-P-C4' energy: -180.702
flat angles P-C4'-P energy: -122.092
tors. eta vs tors. theta energy: -205.753
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: 1
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -2270.659760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.659760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.126137 (E_RNA)
where:
Base-Base interactions energy: -1553.735
where: short stacking energy: -650.443
Base-Backbone interact. energy: -3.379
local terms energy: -715.012081
where:
bonds (distance) C4'-P energy: -137.500
bonds (distance) P-C4' energy: -149.077
flat angles C4'-P-C4' energy: -159.840
flat angles P-C4'-P energy: -83.613
tors. eta vs tors. theta energy: -184.983
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: 7, replica: 8
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -2086.288048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.288048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.594185 (E_RNA)
where:
Base-Base interactions energy: -1404.660
where: short stacking energy: -615.965
Base-Backbone interact. energy: 1.686
local terms energy: -686.620073
where:
bonds (distance) C4'-P energy: -129.673
bonds (distance) P-C4' energy: -132.195
flat angles C4'-P-C4' energy: -157.818
flat angles P-C4'-P energy: -104.281
tors. eta vs tors. theta energy: -162.654
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: 8, replica: 4
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -2027.045912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.045912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.456023 (E_RNA)
where:
Base-Base interactions energy: -1359.930
where: short stacking energy: -573.464
Base-Backbone interact. energy: 2.598
local terms energy: -672.123514
where:
bonds (distance) C4'-P energy: -150.074
bonds (distance) P-C4' energy: -127.039
flat angles C4'-P-C4' energy: -143.438
flat angles P-C4'-P energy: -95.003
tors. eta vs tors. theta energy: -156.569
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: 9, replica: 5
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -1949.790808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.790808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.695966 (E_RNA)
where:
Base-Base interactions energy: -1343.543
where: short stacking energy: -593.799
Base-Backbone interact. energy: 5.837
local terms energy: -614.990024
where:
bonds (distance) C4'-P energy: -119.623
bonds (distance) P-C4' energy: -150.980
flat angles C4'-P-C4' energy: -115.830
flat angles P-C4'-P energy: -79.980
tors. eta vs tors. theta energy: -148.577
Dist. restrs. and SS energy: 2.905 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -1862.548960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.548960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.912408 (E_RNA)
where:
Base-Base interactions energy: -1278.602
where: short stacking energy: -534.570
Base-Backbone interact. energy: 8.006
local terms energy: -594.316893
where:
bonds (distance) C4'-P energy: -129.275
bonds (distance) P-C4' energy: -116.545
flat angles C4'-P-C4' energy: -132.823
flat angles P-C4'-P energy: -94.756
tors. eta vs tors. theta energy: -120.918
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: 1, replica: 7
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -2920.254352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2920.254352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2921.309702 (E_RNA)
where:
Base-Base interactions energy: -2033.328
where: short stacking energy: -812.596
Base-Backbone interact. energy: -1.114
local terms energy: -886.867794
where:
bonds (distance) C4'-P energy: -168.957
bonds (distance) P-C4' energy: -160.553
flat angles C4'-P-C4' energy: -194.957
flat angles P-C4'-P energy: -125.721
tors. eta vs tors. theta energy: -236.679
Dist. restrs. and SS energy: 1.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -2784.546455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.546455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.599924 (E_RNA)
where:
Base-Base interactions energy: -1945.215
where: short stacking energy: -812.408
Base-Backbone interact. energy: -2.168
local terms energy: -839.216947
where:
bonds (distance) C4'-P energy: -149.222
bonds (distance) P-C4' energy: -166.789
flat angles C4'-P-C4' energy: -171.759
flat angles P-C4'-P energy: -118.515
tors. eta vs tors. theta energy: -232.932
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: 3, replica: 2
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -2735.548561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.548561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.826816 (E_RNA)
where:
Base-Base interactions energy: -1899.793
where: short stacking energy: -823.462
Base-Backbone interact. energy: -0.101
local terms energy: -836.932525
where:
bonds (distance) C4'-P energy: -141.197
bonds (distance) P-C4' energy: -149.756
flat angles C4'-P-C4' energy: -183.106
flat angles P-C4'-P energy: -128.238
tors. eta vs tors. theta energy: -234.636
Dist. restrs. and SS energy: 1.278 (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: 9
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -2638.219557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.219557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.588085 (E_RNA)
where:
Base-Base interactions energy: -1811.720
where: short stacking energy: -772.610
Base-Backbone interact. energy: -3.592
local terms energy: -825.276533
where:
bonds (distance) C4'-P energy: -150.459
bonds (distance) P-C4' energy: -135.974
flat angles C4'-P-C4' energy: -178.740
flat angles P-C4'-P energy: -124.235
tors. eta vs tors. theta energy: -235.868
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: 5, replica: 3
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -2429.268703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.268703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.993209 (E_RNA)
where:
Base-Base interactions energy: -1684.036
where: short stacking energy: -720.812
Base-Backbone interact. energy: 0.600
local terms energy: -747.557883
where:
bonds (distance) C4'-P energy: -134.991
bonds (distance) P-C4' energy: -150.895
flat angles C4'-P-C4' energy: -164.443
flat angles P-C4'-P energy: -107.945
tors. eta vs tors. theta energy: -189.284
Dist. restrs. and SS energy: 1.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -2200.798816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.798816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.456398 (E_RNA)
where:
Base-Base interactions energy: -1534.330
where: short stacking energy: -662.852
Base-Backbone interact. energy: -1.731
local terms energy: -666.395581
where:
bonds (distance) C4'-P energy: -121.010
bonds (distance) P-C4' energy: -136.901
flat angles C4'-P-C4' energy: -134.430
flat angles P-C4'-P energy: -113.919
tors. eta vs tors. theta energy: -160.137
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: 8
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -2104.664502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.664502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.548907 (E_RNA)
where:
Base-Base interactions energy: -1429.074
where: short stacking energy: -625.122
Base-Backbone interact. energy: -2.572
local terms energy: -674.902966
where:
bonds (distance) C4'-P energy: -136.253
bonds (distance) P-C4' energy: -130.284
flat angles C4'-P-C4' energy: -155.352
flat angles P-C4'-P energy: -92.163
tors. eta vs tors. theta energy: -160.850
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: 8, replica: 4
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -2014.890518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.890518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.343940 (E_RNA)
where:
Base-Base interactions energy: -1395.925
where: short stacking energy: -622.009
Base-Backbone interact. energy: -2.860
local terms energy: -618.559098
where:
bonds (distance) C4'-P energy: -123.626
bonds (distance) P-C4' energy: -115.275
flat angles C4'-P-C4' energy: -134.438
flat angles P-C4'-P energy: -81.698
tors. eta vs tors. theta energy: -163.522
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: 9, replica: 5
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -1935.924376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.924376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.112132 (E_RNA)
where:
Base-Base interactions energy: -1308.960
where: short stacking energy: -574.897
Base-Backbone interact. energy: 3.341
local terms energy: -632.493205
where:
bonds (distance) C4'-P energy: -135.030
bonds (distance) P-C4' energy: -126.565
flat angles C4'-P-C4' energy: -139.424
flat angles P-C4'-P energy: -90.429
tors. eta vs tors. theta energy: -141.046
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: 6
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -1878.906912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.906912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.910023 (E_RNA)
where:
Base-Base interactions energy: -1297.904
where: short stacking energy: -509.631
Base-Backbone interact. energy: 0.630
local terms energy: -586.635678
where:
bonds (distance) C4'-P energy: -105.368
bonds (distance) P-C4' energy: -131.280
flat angles C4'-P-C4' energy: -133.836
flat angles P-C4'-P energy: -91.990
tors. eta vs tors. theta energy: -124.161
Dist. restrs. and SS energy: 5.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -2927.337419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2927.337419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2927.950603 (E_RNA)
where:
Base-Base interactions energy: -2030.474
where: short stacking energy: -819.487
Base-Backbone interact. energy: -3.066
local terms energy: -894.410219
where:
bonds (distance) C4'-P energy: -165.687
bonds (distance) P-C4' energy: -164.572
flat angles C4'-P-C4' energy: -192.968
flat angles P-C4'-P energy: -125.010
tors. eta vs tors. theta energy: -246.174
Dist. restrs. and SS energy: 0.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -2823.199454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.199454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.029336 (E_RNA)
where:
Base-Base interactions energy: -1965.152
where: short stacking energy: -826.152
Base-Backbone interact. energy: -0.096
local terms energy: -859.781032
where:
bonds (distance) C4'-P energy: -155.783
bonds (distance) P-C4' energy: -157.633
flat angles C4'-P-C4' energy: -194.693
flat angles P-C4'-P energy: -119.706
tors. eta vs tors. theta energy: -231.966
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: 3, replica: 2
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -2696.356456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.356456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.703318 (E_RNA)
where:
Base-Base interactions energy: -1884.267
where: short stacking energy: -774.786
Base-Backbone interact. energy: -1.923
local terms energy: -812.513181
where:
bonds (distance) C4'-P energy: -142.252
bonds (distance) P-C4' energy: -163.141
flat angles C4'-P-C4' energy: -175.648
flat angles P-C4'-P energy: -106.363
tors. eta vs tors. theta energy: -225.109
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: 4, replica: 9
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -2603.385766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.385766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.161628 (E_RNA)
where:
Base-Base interactions energy: -1789.170
where: short stacking energy: -781.136
Base-Backbone interact. energy: -2.698
local terms energy: -813.293517
where:
bonds (distance) C4'-P energy: -154.519
bonds (distance) P-C4' energy: -146.122
flat angles C4'-P-C4' energy: -177.734
flat angles P-C4'-P energy: -110.954
tors. eta vs tors. theta energy: -223.965
Dist. restrs. and SS energy: 1.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -2428.589797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.589797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.352779 (E_RNA)
where:
Base-Base interactions energy: -1674.309
where: short stacking energy: -695.268
Base-Backbone interact. energy: -1.359
local terms energy: -754.684830
where:
bonds (distance) C4'-P energy: -161.504
bonds (distance) P-C4' energy: -135.573
flat angles C4'-P-C4' energy: -166.990
flat angles P-C4'-P energy: -104.237
tors. eta vs tors. theta energy: -186.381
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: 395
Temperature: 1.150000
Total energy: -2220.496771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.496771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.690360 (E_RNA)
where:
Base-Base interactions energy: -1506.022
where: short stacking energy: -666.892
Base-Backbone interact. energy: -4.036
local terms energy: -713.631680
where:
bonds (distance) C4'-P energy: -159.211
bonds (distance) P-C4' energy: -127.737
flat angles C4'-P-C4' energy: -151.400
flat angles P-C4'-P energy: -89.944
tors. eta vs tors. theta energy: -185.340
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: 7, replica: 1
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -2219.620834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.620834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.176543 (E_RNA)
where:
Base-Base interactions energy: -1497.548
where: short stacking energy: -628.785
Base-Backbone interact. energy: 9.985
local terms energy: -734.613713
where:
bonds (distance) C4'-P energy: -136.646
bonds (distance) P-C4' energy: -136.139
flat angles C4'-P-C4' energy: -162.389
flat angles P-C4'-P energy: -109.968
tors. eta vs tors. theta energy: -189.471
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: 8, replica: 4
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -2010.752772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.752772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.278469 (E_RNA)
where:
Base-Base interactions energy: -1371.340
where: short stacking energy: -564.352
Base-Backbone interact. energy: -1.741
local terms energy: -642.196977
where:
bonds (distance) C4'-P energy: -119.355
bonds (distance) P-C4' energy: -142.298
flat angles C4'-P-C4' energy: -160.540
flat angles P-C4'-P energy: -85.083
tors. eta vs tors. theta energy: -134.921
Dist. restrs. and SS energy: 4.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -2007.676862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.676862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.411762 (E_RNA)
where:
Base-Base interactions energy: -1337.292
where: short stacking energy: -578.837
Base-Backbone interact. energy: -1.533
local terms energy: -671.586790
where:
bonds (distance) C4'-P energy: -147.032
bonds (distance) P-C4' energy: -131.344
flat angles C4'-P-C4' energy: -141.720
flat angles P-C4'-P energy: -90.477
tors. eta vs tors. theta energy: -161.014
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: 10, replica: 6
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -1853.497957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.497957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.609405 (E_RNA)
where:
Base-Base interactions energy: -1276.716
where: short stacking energy: -530.262
Base-Backbone interact. energy: 6.280
local terms energy: -586.173457
where:
bonds (distance) C4'-P energy: -118.447
bonds (distance) P-C4' energy: -138.827
flat angles C4'-P-C4' energy: -133.840
flat angles P-C4'-P energy: -72.509
tors. eta vs tors. theta energy: -122.551
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: 7
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -2946.153618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2946.153618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2947.577654 (E_RNA)
where:
Base-Base interactions energy: -2040.686
where: short stacking energy: -841.482
Base-Backbone interact. energy: -4.349
local terms energy: -902.542399
where:
bonds (distance) C4'-P energy: -162.617
bonds (distance) P-C4' energy: -180.261
flat angles C4'-P-C4' energy: -196.458
flat angles P-C4'-P energy: -121.136
tors. eta vs tors. theta energy: -242.070
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: 2, replica: 10
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -2830.373639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.373639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.741659 (E_RNA)
where:
Base-Base interactions energy: -1938.891
where: short stacking energy: -813.221
Base-Backbone interact. energy: -0.775
local terms energy: -893.075889
where:
bonds (distance) C4'-P energy: -164.710
bonds (distance) P-C4' energy: -162.104
flat angles C4'-P-C4' energy: -188.926
flat angles P-C4'-P energy: -132.850
tors. eta vs tors. theta energy: -244.487
Dist. restrs. and SS energy: 2.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -2707.177225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.177225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.108896 (E_RNA)
where:
Base-Base interactions energy: -1880.296
where: short stacking energy: -770.971
Base-Backbone interact. energy: -1.140
local terms energy: -827.673204
where:
bonds (distance) C4'-P energy: -148.411
bonds (distance) P-C4' energy: -164.750
flat angles C4'-P-C4' energy: -175.637
flat angles P-C4'-P energy: -110.081
tors. eta vs tors. theta energy: -228.794
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: 4, replica: 9
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -2619.393394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.393394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.177810 (E_RNA)
where:
Base-Base interactions energy: -1798.989
where: short stacking energy: -738.097
Base-Backbone interact. energy: -2.044
local terms energy: -819.145012
where:
bonds (distance) C4'-P energy: -147.169
bonds (distance) P-C4' energy: -144.402
flat angles C4'-P-C4' energy: -182.152
flat angles P-C4'-P energy: -119.686
tors. eta vs tors. theta energy: -225.735
Dist. restrs. and SS energy: 0.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -2520.161332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.161332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.617897 (E_RNA)
where:
Base-Base interactions energy: -1765.299
where: short stacking energy: -739.298
Base-Backbone interact. energy: 2.273
local terms energy: -758.591962
where:
bonds (distance) C4'-P energy: -120.029
bonds (distance) P-C4' energy: -156.517
flat angles C4'-P-C4' energy: -171.504
flat angles P-C4'-P energy: -93.769
tors. eta vs tors. theta energy: -216.773
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: 8
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -2186.054526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.054526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.245684 (E_RNA)
where:
Base-Base interactions energy: -1465.783
where: short stacking energy: -656.104
Base-Backbone interact. energy: -3.270
local terms energy: -719.192080
where:
bonds (distance) C4'-P energy: -128.816
bonds (distance) P-C4' energy: -135.192
flat angles C4'-P-C4' energy: -163.291
flat angles P-C4'-P energy: -103.468
tors. eta vs tors. theta energy: -188.425
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: 7, replica: 1
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -2206.502878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.502878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.040374 (E_RNA)
where:
Base-Base interactions energy: -1482.280
where: short stacking energy: -603.635
Base-Backbone interact. energy: 0.150
local terms energy: -726.910425
where:
bonds (distance) C4'-P energy: -130.918
bonds (distance) P-C4' energy: -157.785
flat angles C4'-P-C4' energy: -163.261
flat angles P-C4'-P energy: -96.692
tors. eta vs tors. theta energy: -178.255
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: 8, replica: 4
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -2005.173648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.173648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.225368 (E_RNA)
where:
Base-Base interactions energy: -1343.960
where: short stacking energy: -573.449
Base-Backbone interact. energy: 4.308
local terms energy: -667.573511
where:
bonds (distance) C4'-P energy: -139.662
bonds (distance) P-C4' energy: -121.345
flat angles C4'-P-C4' energy: -146.440
flat angles P-C4'-P energy: -103.114
tors. eta vs tors. theta energy: -157.013
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: 6
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -1935.359126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.359126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.037267 (E_RNA)
where:
Base-Base interactions energy: -1289.172
where: short stacking energy: -533.944
Base-Backbone interact. energy: -2.654
local terms energy: -648.211130
where:
bonds (distance) C4'-P energy: -143.789
bonds (distance) P-C4' energy: -129.587
flat angles C4'-P-C4' energy: -143.043
flat angles P-C4'-P energy: -89.092
tors. eta vs tors. theta energy: -142.701
Dist. restrs. and SS energy: 4.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -1926.607952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.607952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.085059 (E_RNA)
where:
Base-Base interactions energy: -1281.673
where: short stacking energy: -554.571
Base-Backbone interact. energy: -2.248
local terms energy: -645.164153
where:
bonds (distance) C4'-P energy: -145.968
bonds (distance) P-C4' energy: -136.406
flat angles C4'-P-C4' energy: -150.231
flat angles P-C4'-P energy: -75.923
tors. eta vs tors. theta energy: -136.637
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: 1, replica: 7
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -2950.616195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2950.616195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2951.993186 (E_RNA)
where:
Base-Base interactions energy: -2086.363
where: short stacking energy: -855.479
Base-Backbone interact. energy: -2.456
local terms energy: -863.174054
where:
bonds (distance) C4'-P energy: -156.163
bonds (distance) P-C4' energy: -157.846
flat angles C4'-P-C4' energy: -185.179
flat angles P-C4'-P energy: -124.402
tors. eta vs tors. theta energy: -239.584
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: 2, replica: 10
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -2832.415127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.415127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2834.103933 (E_RNA)
where:
Base-Base interactions energy: -1970.748
where: short stacking energy: -816.484
Base-Backbone interact. energy: 0.381
local terms energy: -863.736432
where:
bonds (distance) C4'-P energy: -156.168
bonds (distance) P-C4' energy: -150.075
flat angles C4'-P-C4' energy: -175.981
flat angles P-C4'-P energy: -136.479
tors. eta vs tors. theta energy: -245.033
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: 3, replica: 2
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -2713.641913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.641913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.285354 (E_RNA)
where:
Base-Base interactions energy: -1868.816
where: short stacking energy: -777.748
Base-Backbone interact. energy: 1.759
local terms energy: -848.227543
where:
bonds (distance) C4'-P energy: -152.174
bonds (distance) P-C4' energy: -154.061
flat angles C4'-P-C4' energy: -188.521
flat angles P-C4'-P energy: -122.297
tors. eta vs tors. theta energy: -231.174
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: 4, replica: 3
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -2574.429011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.429011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.830091 (E_RNA)
where:
Base-Base interactions energy: -1789.494
where: short stacking energy: -781.876
Base-Backbone interact. energy: -0.101
local terms energy: -786.235369
where:
bonds (distance) C4'-P energy: -132.187
bonds (distance) P-C4' energy: -159.067
flat angles C4'-P-C4' energy: -164.804
flat angles P-C4'-P energy: -111.202
tors. eta vs tors. theta energy: -218.976
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: 5, replica: 9
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -2500.948890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.948890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.530021 (E_RNA)
where:
Base-Base interactions energy: -1730.122
where: short stacking energy: -730.069
Base-Backbone interact. energy: -2.710
local terms energy: -769.698722
where:
bonds (distance) C4'-P energy: -129.698
bonds (distance) P-C4' energy: -155.083
flat angles C4'-P-C4' energy: -173.736
flat angles P-C4'-P energy: -89.750
tors. eta vs tors. theta energy: -221.432
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: 1
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -2351.194086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.194086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.407913 (E_RNA)
where:
Base-Base interactions energy: -1616.741
where: short stacking energy: -688.733
Base-Backbone interact. energy: -0.155
local terms energy: -736.512202
where:
bonds (distance) C4'-P energy: -138.289
bonds (distance) P-C4' energy: -144.096
flat angles C4'-P-C4' energy: -158.196
flat angles P-C4'-P energy: -108.297
tors. eta vs tors. theta energy: -187.635
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: 7, replica: 8
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -2160.486576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.486576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.238216 (E_RNA)
where:
Base-Base interactions energy: -1442.347
where: short stacking energy: -619.753
Base-Backbone interact. energy: -4.611
local terms energy: -717.280124
where:
bonds (distance) C4'-P energy: -142.318
bonds (distance) P-C4' energy: -145.778
flat angles C4'-P-C4' energy: -160.017
flat angles P-C4'-P energy: -90.936
tors. eta vs tors. theta energy: -178.231
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: 8, replica: 6
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -2039.276190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.276190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.243131 (E_RNA)
where:
Base-Base interactions energy: -1356.700
where: short stacking energy: -584.161
Base-Backbone interact. energy: -3.590
local terms energy: -680.953417
where:
bonds (distance) C4'-P energy: -136.525
bonds (distance) P-C4' energy: -143.767
flat angles C4'-P-C4' energy: -145.105
flat angles P-C4'-P energy: -103.492
tors. eta vs tors. theta energy: -152.064
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: 9, replica: 4
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -1923.973401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.973401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.916344 (E_RNA)
where:
Base-Base interactions energy: -1312.398
where: short stacking energy: -572.784
Base-Backbone interact. energy: 7.418
local terms energy: -623.935650
where:
bonds (distance) C4'-P energy: -116.450
bonds (distance) P-C4' energy: -126.469
flat angles C4'-P-C4' energy: -148.643
flat angles P-C4'-P energy: -94.020
tors. eta vs tors. theta energy: -138.355
Dist. restrs. and SS energy: 4.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -1882.336387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.336387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.016292 (E_RNA)
where:
Base-Base interactions energy: -1278.018
where: short stacking energy: -544.212
Base-Backbone interact. energy: -2.937
local terms energy: -604.061209
where:
bonds (distance) C4'-P energy: -118.109
bonds (distance) P-C4' energy: -135.047
flat angles C4'-P-C4' energy: -133.211
flat angles P-C4'-P energy: -90.566
tors. eta vs tors. theta energy: -127.128
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: 1, replica: 7
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -2917.151476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2917.151476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2918.408957 (E_RNA)
where:
Base-Base interactions energy: -2060.270
where: short stacking energy: -847.266
Base-Backbone interact. energy: -1.359
local terms energy: -856.780348
where:
bonds (distance) C4'-P energy: -148.295
bonds (distance) P-C4' energy: -161.250
flat angles C4'-P-C4' energy: -190.809
flat angles P-C4'-P energy: -121.030
tors. eta vs tors. theta energy: -235.397
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: 2, replica: 10
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -2788.687047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.687047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.357028 (E_RNA)
where:
Base-Base interactions energy: -1942.259
where: short stacking energy: -818.189
Base-Backbone interact. energy: -5.524
local terms energy: -842.574037
where:
bonds (distance) C4'-P energy: -142.138
bonds (distance) P-C4' energy: -147.063
flat angles C4'-P-C4' energy: -190.361
flat angles P-C4'-P energy: -124.506
tors. eta vs tors. theta energy: -238.505
Dist. restrs. and SS energy: 1.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -2739.360270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.360270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2741.140570 (E_RNA)
where:
Base-Base interactions energy: -1896.576
where: short stacking energy: -776.892
Base-Backbone interact. energy: -4.033
local terms energy: -840.532095
where:
bonds (distance) C4'-P energy: -157.309
bonds (distance) P-C4' energy: -143.037
flat angles C4'-P-C4' energy: -183.972
flat angles P-C4'-P energy: -111.099
tors. eta vs tors. theta energy: -245.115
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: 4, replica: 3
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -2595.993247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.993247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.500601 (E_RNA)
where:
Base-Base interactions energy: -1788.738
where: short stacking energy: -744.241
Base-Backbone interact. energy: -2.323
local terms energy: -806.440371
where:
bonds (distance) C4'-P energy: -154.260
bonds (distance) P-C4' energy: -154.954
flat angles C4'-P-C4' energy: -163.446
flat angles P-C4'-P energy: -120.273
tors. eta vs tors. theta energy: -213.507
Dist. restrs. and SS energy: 1.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -2496.387699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.387699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.518962 (E_RNA)
where:
Base-Base interactions energy: -1713.549
where: short stacking energy: -754.072
Base-Backbone interact. energy: -1.379
local terms energy: -784.591873
where:
bonds (distance) C4'-P energy: -142.403
bonds (distance) P-C4' energy: -132.236
flat angles C4'-P-C4' energy: -180.211
flat angles P-C4'-P energy: -113.271
tors. eta vs tors. theta energy: -216.471
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: 6, replica: 1
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -2315.068588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.068588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.683547 (E_RNA)
where:
Base-Base interactions energy: -1585.468
where: short stacking energy: -662.362
Base-Backbone interact. energy: 0.553
local terms energy: -731.768554
where:
bonds (distance) C4'-P energy: -145.171
bonds (distance) P-C4' energy: -142.238
flat angles C4'-P-C4' energy: -164.150
flat angles P-C4'-P energy: -94.886
tors. eta vs tors. theta energy: -185.323
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: 7, replica: 8
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -2131.741903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.741903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.135789 (E_RNA)
where:
Base-Base interactions energy: -1438.488
where: short stacking energy: -613.182
Base-Backbone interact. energy: 0.777
local terms energy: -697.424786
where:
bonds (distance) C4'-P energy: -139.471
bonds (distance) P-C4' energy: -137.018
flat angles C4'-P-C4' energy: -150.567
flat angles P-C4'-P energy: -100.879
tors. eta vs tors. theta energy: -169.488
Dist. restrs. and SS energy: 3.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -2010.995529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.995529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.428020 (E_RNA)
where:
Base-Base interactions energy: -1373.877
where: short stacking energy: -595.603
Base-Backbone interact. energy: 1.089
local terms energy: -640.639802
where:
bonds (distance) C4'-P energy: -134.269
bonds (distance) P-C4' energy: -121.816
flat angles C4'-P-C4' energy: -134.441
flat angles P-C4'-P energy: -93.571
tors. eta vs tors. theta energy: -156.543
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: 9, replica: 4
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -1945.028686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.028686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.060224 (E_RNA)
where:
Base-Base interactions energy: -1334.067
where: short stacking energy: -553.360
Base-Backbone interact. energy: 5.309
local terms energy: -620.302212
where:
bonds (distance) C4'-P energy: -120.870
bonds (distance) P-C4' energy: -116.124
flat angles C4'-P-C4' energy: -133.849
flat angles P-C4'-P energy: -91.986
tors. eta vs tors. theta energy: -157.474
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: 10, replica: 5
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -1978.963013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.963013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.445359 (E_RNA)
where:
Base-Base interactions energy: -1354.744
where: short stacking energy: -581.982
Base-Backbone interact. energy: -1.405
local terms energy: -625.295798
where:
bonds (distance) C4'-P energy: -127.499
bonds (distance) P-C4' energy: -123.025
flat angles C4'-P-C4' energy: -147.815
flat angles P-C4'-P energy: -81.227
tors. eta vs tors. theta energy: -145.729
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: 1, replica: 7
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -2929.132330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2929.132330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2930.770184 (E_RNA)
where:
Base-Base interactions energy: -2056.870
where: short stacking energy: -850.613
Base-Backbone interact. energy: -0.512
local terms energy: -873.388358
where:
bonds (distance) C4'-P energy: -168.008
bonds (distance) P-C4' energy: -163.319
flat angles C4'-P-C4' energy: -191.966
flat angles P-C4'-P energy: -104.615
tors. eta vs tors. theta energy: -245.481
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: 2, replica: 10
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -2809.295492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.295492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.314452 (E_RNA)
where:
Base-Base interactions energy: -1929.356
where: short stacking energy: -820.804
Base-Backbone interact. energy: -0.723
local terms energy: -881.235321
where:
bonds (distance) C4'-P energy: -165.229
bonds (distance) P-C4' energy: -154.333
flat angles C4'-P-C4' energy: -190.246
flat angles P-C4'-P energy: -135.276
tors. eta vs tors. theta energy: -236.151
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: 3, replica: 2
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -2694.679794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.679794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.843363 (E_RNA)
where:
Base-Base interactions energy: -1893.998
where: short stacking energy: -790.280
Base-Backbone interact. energy: 4.388
local terms energy: -806.233406
where:
bonds (distance) C4'-P energy: -148.630
bonds (distance) P-C4' energy: -162.674
flat angles C4'-P-C4' energy: -161.336
flat angles P-C4'-P energy: -110.303
tors. eta vs tors. theta energy: -223.291
Dist. restrs. and SS energy: 1.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -2576.329637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.329637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.280575 (E_RNA)
where:
Base-Base interactions energy: -1763.669
where: short stacking energy: -737.260
Base-Backbone interact. energy: -3.071
local terms energy: -811.540798
where:
bonds (distance) C4'-P energy: -141.826
bonds (distance) P-C4' energy: -153.244
flat angles C4'-P-C4' energy: -172.813
flat angles P-C4'-P energy: -119.088
tors. eta vs tors. theta energy: -224.570
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: 5, replica: 9
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -2514.500933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.500933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.334395 (E_RNA)
where:
Base-Base interactions energy: -1731.242
where: short stacking energy: -742.524
Base-Backbone interact. energy: -2.142
local terms energy: -782.949606
where:
bonds (distance) C4'-P energy: -137.960
bonds (distance) P-C4' energy: -134.241
flat angles C4'-P-C4' energy: -187.128
flat angles P-C4'-P energy: -105.420
tors. eta vs tors. theta energy: -218.201
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: 6, replica: 1
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -2346.755822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.755822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.772741 (E_RNA)
where:
Base-Base interactions energy: -1601.231
where: short stacking energy: -686.309
Base-Backbone interact. energy: 3.891
local terms energy: -751.432415
where:
bonds (distance) C4'-P energy: -126.140
bonds (distance) P-C4' energy: -140.851
flat angles C4'-P-C4' energy: -174.700
flat angles P-C4'-P energy: -111.722
tors. eta vs tors. theta energy: -198.019
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: 7, replica: 8
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -2182.226301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.226301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.423982 (E_RNA)
where:
Base-Base interactions energy: -1488.508
where: short stacking energy: -627.158
Base-Backbone interact. energy: -0.623
local terms energy: -696.292907
where:
bonds (distance) C4'-P energy: -131.125
bonds (distance) P-C4' energy: -146.123
flat angles C4'-P-C4' energy: -168.230
flat angles P-C4'-P energy: -94.300
tors. eta vs tors. theta energy: -156.516
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: 8, replica: 6
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -2077.190593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.190593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.177400 (E_RNA)
where:
Base-Base interactions energy: -1409.838
where: short stacking energy: -568.554
Base-Backbone interact. energy: 3.651
local terms energy: -673.990470
where:
bonds (distance) C4'-P energy: -147.319
bonds (distance) P-C4' energy: -133.395
flat angles C4'-P-C4' energy: -149.501
flat angles P-C4'-P energy: -91.471
tors. eta vs tors. theta energy: -152.305
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: 4
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -1922.206392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.206392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.856960 (E_RNA)
where:
Base-Base interactions energy: -1277.188
where: short stacking energy: -533.380
Base-Backbone interact. energy: -1.896
local terms energy: -646.772562
where:
bonds (distance) C4'-P energy: -134.700
bonds (distance) P-C4' energy: -125.182
flat angles C4'-P-C4' energy: -146.858
flat angles P-C4'-P energy: -112.354
tors. eta vs tors. theta energy: -127.679
Dist. restrs. and SS energy: 3.651 (S_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: 399
Temperature: 1.350000
Total energy: -1911.488736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.488736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.288253 (E_RNA)
where:
Base-Base interactions energy: -1298.859
where: short stacking energy: -549.515
Base-Backbone interact. energy: 1.319
local terms energy: -616.748853
where:
bonds (distance) C4'-P energy: -118.393
bonds (distance) P-C4' energy: -120.637
flat angles C4'-P-C4' energy: -133.457
flat angles P-C4'-P energy: -92.934
tors. eta vs tors. theta energy: -151.328
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: 7
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -2927.906364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2927.906364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2929.502497 (E_RNA)
where:
Base-Base interactions energy: -2049.479
where: short stacking energy: -829.028
Base-Backbone interact. energy: 2.379
local terms energy: -882.402669
where:
bonds (distance) C4'-P energy: -173.271
bonds (distance) P-C4' energy: -167.598
flat angles C4'-P-C4' energy: -176.482
flat angles P-C4'-P energy: -124.534
tors. eta vs tors. theta energy: -240.518
Dist. restrs. and SS energy: 1.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -2771.364243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.364243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.872462 (E_RNA)
where:
Base-Base interactions energy: -1909.524
where: short stacking energy: -782.276
Base-Backbone interact. energy: -4.602
local terms energy: -859.746211
where:
bonds (distance) C4'-P energy: -157.323
bonds (distance) P-C4' energy: -155.684
flat angles C4'-P-C4' energy: -190.422
flat angles P-C4'-P energy: -113.197
tors. eta vs tors. theta energy: -243.121
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: 3, replica: 2
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -2680.753463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.753463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.938911 (E_RNA)
where:
Base-Base interactions energy: -1861.883
where: short stacking energy: -793.939
Base-Backbone interact. energy: -3.752
local terms energy: -819.304020
where:
bonds (distance) C4'-P energy: -149.611
bonds (distance) P-C4' energy: -162.899
flat angles C4'-P-C4' energy: -170.992
flat angles P-C4'-P energy: -114.939
tors. eta vs tors. theta energy: -220.863
Dist. restrs. and SS energy: 4.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -2578.286437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.286437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.322547 (E_RNA)
where:
Base-Base interactions energy: -1782.226
where: short stacking energy: -758.170
Base-Backbone interact. energy: 3.880
local terms energy: -801.976988
where:
bonds (distance) C4'-P energy: -153.164
bonds (distance) P-C4' energy: -139.536
flat angles C4'-P-C4' energy: -173.375
flat angles P-C4'-P energy: -113.709
tors. eta vs tors. theta energy: -222.193
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: 5, replica: 9
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -2483.333441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.333441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.589760 (E_RNA)
where:
Base-Base interactions energy: -1734.430
where: short stacking energy: -732.676
Base-Backbone interact. energy: -3.726
local terms energy: -748.434401
where:
bonds (distance) C4'-P energy: -135.435
bonds (distance) P-C4' energy: -139.740
flat angles C4'-P-C4' energy: -162.272
flat angles P-C4'-P energy: -103.965
tors. eta vs tors. theta energy: -207.022
Dist. restrs. and SS energy: 3.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -2265.285966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.285966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.162672 (E_RNA)
where:
Base-Base interactions energy: -1553.228
where: short stacking energy: -669.868
Base-Backbone interact. energy: -1.679
local terms energy: -713.255104
where:
bonds (distance) C4'-P energy: -118.248
bonds (distance) P-C4' energy: -137.588
flat angles C4'-P-C4' energy: -153.981
flat angles P-C4'-P energy: -122.749
tors. eta vs tors. theta energy: -180.689
Dist. restrs. and SS energy: 2.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -2165.180200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.180200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.572451 (E_RNA)
where:
Base-Base interactions energy: -1486.313
where: short stacking energy: -631.716
Base-Backbone interact. energy: 4.281
local terms energy: -684.540689
where:
bonds (distance) C4'-P energy: -138.644
bonds (distance) P-C4' energy: -128.976
flat angles C4'-P-C4' energy: -147.651
flat angles P-C4'-P energy: -95.606
tors. eta vs tors. theta energy: -173.663
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: 6
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -2166.759343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.759343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.859249 (E_RNA)
where:
Base-Base interactions energy: -1557.096
where: short stacking energy: -643.418
Base-Backbone interact. energy: 1.617
local terms energy: -614.380495
where:
bonds (distance) C4'-P energy: -124.676
bonds (distance) P-C4' energy: -100.559
flat angles C4'-P-C4' energy: -139.071
flat angles P-C4'-P energy: -78.215
tors. eta vs tors. theta energy: -171.858
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: 9, replica: 5
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -1903.076797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.076797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.058974 (E_RNA)
where:
Base-Base interactions energy: -1292.895
where: short stacking energy: -539.230
Base-Backbone interact. energy: 5.362
local terms energy: -618.526668
where:
bonds (distance) C4'-P energy: -117.780
bonds (distance) P-C4' energy: -141.285
flat angles C4'-P-C4' energy: -150.207
flat angles P-C4'-P energy: -88.719
tors. eta vs tors. theta energy: -120.535
Dist. restrs. and SS energy: 2.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -1888.526192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.526192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.877109 (E_RNA)
where:
Base-Base interactions energy: -1322.702
where: short stacking energy: -546.375
Base-Backbone interact. energy: -0.490
local terms energy: -568.684739
where:
bonds (distance) C4'-P energy: -102.752
bonds (distance) P-C4' energy: -103.351
flat angles C4'-P-C4' energy: -124.759
flat angles P-C4'-P energy: -91.872
tors. eta vs tors. theta energy: -145.951
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: 1, replica: 7
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -2950.007227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2950.007227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2952.044041 (E_RNA)
where:
Base-Base interactions energy: -2069.078
where: short stacking energy: -851.119
Base-Backbone interact. energy: -0.934
local terms energy: -882.032210
where:
bonds (distance) C4'-P energy: -169.123
bonds (distance) P-C4' energy: -156.242
flat angles C4'-P-C4' energy: -187.529
flat angles P-C4'-P energy: -119.263
tors. eta vs tors. theta energy: -249.876
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: 2, replica: 2
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -2776.534262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.534262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.171796 (E_RNA)
where:
Base-Base interactions energy: -1937.154
where: short stacking energy: -799.844
Base-Backbone interact. energy: -3.157
local terms energy: -838.860632
where:
bonds (distance) C4'-P energy: -162.440
bonds (distance) P-C4' energy: -150.884
flat angles C4'-P-C4' energy: -185.431
flat angles P-C4'-P energy: -102.792
tors. eta vs tors. theta energy: -237.314
Dist. restrs. and SS energy: 2.638 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -2740.108992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.108992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.202607 (E_RNA)
where:
Base-Base interactions energy: -1888.579
where: short stacking energy: -782.256
Base-Backbone interact. energy: -3.303
local terms energy: -850.320685
where:
bonds (distance) C4'-P energy: -159.324
bonds (distance) P-C4' energy: -164.281
flat angles C4'-P-C4' energy: -174.227
flat angles P-C4'-P energy: -126.910
tors. eta vs tors. theta energy: -225.579
Dist. restrs. and SS energy: 2.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -2572.325514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.325514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.397120 (E_RNA)
where:
Base-Base interactions energy: -1784.090
where: short stacking energy: -735.494
Base-Backbone interact. energy: -1.673
local terms energy: -789.633945
where:
bonds (distance) C4'-P energy: -126.806
bonds (distance) P-C4' energy: -163.689
flat angles C4'-P-C4' energy: -176.096
flat angles P-C4'-P energy: -114.700
tors. eta vs tors. theta energy: -208.344
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: 5, replica: 9
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -2506.179801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.179801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.501533 (E_RNA)
where:
Base-Base interactions energy: -1734.583
where: short stacking energy: -725.602
Base-Backbone interact. energy: -0.359
local terms energy: -772.558918
where:
bonds (distance) C4'-P energy: -147.206
bonds (distance) P-C4' energy: -147.566
flat angles C4'-P-C4' energy: -163.305
flat angles P-C4'-P energy: -96.755
tors. eta vs tors. theta energy: -217.727
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: 6, replica: 1
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -2258.678946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.678946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.364416 (E_RNA)
where:
Base-Base interactions energy: -1569.217
where: short stacking energy: -654.228
Base-Backbone interact. energy: -3.743
local terms energy: -688.404829
where:
bonds (distance) C4'-P energy: -132.288
bonds (distance) P-C4' energy: -142.700
flat angles C4'-P-C4' energy: -142.724
flat angles P-C4'-P energy: -89.443
tors. eta vs tors. theta energy: -181.250
Dist. restrs. and SS energy: 2.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -2173.227859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.227859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.297693 (E_RNA)
where:
Base-Base interactions energy: -1474.350
where: short stacking energy: -647.195
Base-Backbone interact. energy: 0.308
local terms energy: -701.255774
where:
bonds (distance) C4'-P energy: -140.450
bonds (distance) P-C4' energy: -135.372
flat angles C4'-P-C4' energy: -166.095
flat angles P-C4'-P energy: -93.406
tors. eta vs tors. theta energy: -165.933
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: 8, replica: 6
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -2183.252073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.252073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.956416 (E_RNA)
where:
Base-Base interactions energy: -1501.084
where: short stacking energy: -629.498
Base-Backbone interact. energy: 0.718
local terms energy: -685.590348
where:
bonds (distance) C4'-P energy: -128.926
bonds (distance) P-C4' energy: -149.516
flat angles C4'-P-C4' energy: -142.437
flat angles P-C4'-P energy: -96.138
tors. eta vs tors. theta energy: -168.573
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: 9, replica: 5
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -1932.864313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.864313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.344797 (E_RNA)
where:
Base-Base interactions energy: -1298.361
where: short stacking energy: -557.850
Base-Backbone interact. energy: -0.828
local terms energy: -638.155162
where:
bonds (distance) C4'-P energy: -142.866
bonds (distance) P-C4' energy: -139.684
flat angles C4'-P-C4' energy: -127.010
flat angles P-C4'-P energy: -94.490
tors. eta vs tors. theta energy: -134.106
Dist. restrs. and SS energy: 4.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -1867.668984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.668984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.658543 (E_RNA)
where:
Base-Base interactions energy: -1275.574
where: short stacking energy: -524.898
Base-Backbone interact. energy: 4.915
local terms energy: -600.000290
where:
bonds (distance) C4'-P energy: -119.433
bonds (distance) P-C4' energy: -140.205
flat angles C4'-P-C4' energy: -132.440
flat angles P-C4'-P energy: -95.998
tors. eta vs tors. theta energy: -111.924
Dist. restrs. and SS energy: 2.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -2925.916343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2925.916343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2927.186234 (E_RNA)
where:
Base-Base interactions energy: -2043.401
where: short stacking energy: -852.374
Base-Backbone interact. energy: -5.487
local terms energy: -878.298247
where:
bonds (distance) C4'-P energy: -170.081
bonds (distance) P-C4' energy: -159.713
flat angles C4'-P-C4' energy: -182.117
flat angles P-C4'-P energy: -126.323
tors. eta vs tors. theta energy: -240.064
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: 2
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -2807.958627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.958627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.674396 (E_RNA)
where:
Base-Base interactions energy: -1945.197
where: short stacking energy: -794.453
Base-Backbone interact. energy: -3.723
local terms energy: -861.754545
where:
bonds (distance) C4'-P energy: -167.408
bonds (distance) P-C4' energy: -166.559
flat angles C4'-P-C4' energy: -180.157
flat angles P-C4'-P energy: -116.261
tors. eta vs tors. theta energy: -231.369
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: 3, replica: 10
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -2715.385665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.385665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.213248 (E_RNA)
where:
Base-Base interactions energy: -1897.749
where: short stacking energy: -805.969
Base-Backbone interact. energy: 2.308
local terms energy: -821.772575
where:
bonds (distance) C4'-P energy: -141.446
bonds (distance) P-C4' energy: -152.578
flat angles C4'-P-C4' energy: -174.879
flat angles P-C4'-P energy: -122.307
tors. eta vs tors. theta energy: -230.562
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: 4, replica: 3
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -2554.325150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.325150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.018768 (E_RNA)
where:
Base-Base interactions energy: -1762.394
where: short stacking energy: -724.068
Base-Backbone interact. energy: 2.471
local terms energy: -797.095787
where:
bonds (distance) C4'-P energy: -131.706
bonds (distance) P-C4' energy: -163.708
flat angles C4'-P-C4' energy: -172.324
flat angles P-C4'-P energy: -118.059
tors. eta vs tors. theta energy: -211.298
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: 5, replica: 9
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -2512.871698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.871698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.859990 (E_RNA)
where:
Base-Base interactions energy: -1752.766
where: short stacking energy: -693.834
Base-Backbone interact. energy: 0.311
local terms energy: -762.405097
where:
bonds (distance) C4'-P energy: -147.591
bonds (distance) P-C4' energy: -145.507
flat angles C4'-P-C4' energy: -155.809
flat angles P-C4'-P energy: -106.960
tors. eta vs tors. theta energy: -206.537
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: 6, replica: 1
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -2270.048660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.048660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.863548 (E_RNA)
where:
Base-Base interactions energy: -1543.227
where: short stacking energy: -627.301
Base-Backbone interact. energy: -0.371
local terms energy: -728.264836
where:
bonds (distance) C4'-P energy: -146.351
bonds (distance) P-C4' energy: -155.443
flat angles C4'-P-C4' energy: -168.313
flat angles P-C4'-P energy: -90.532
tors. eta vs tors. theta energy: -167.625
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: 7, replica: 6
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -2275.453934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.453934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.750130 (E_RNA)
where:
Base-Base interactions energy: -1536.881
where: short stacking energy: -628.152
Base-Backbone interact. energy: -3.069
local terms energy: -738.799829
where:
bonds (distance) C4'-P energy: -150.716
bonds (distance) P-C4' energy: -136.458
flat angles C4'-P-C4' energy: -164.638
flat angles P-C4'-P energy: -107.271
tors. eta vs tors. theta energy: -179.718
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: 8, replica: 8
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -2065.197574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.197574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.729879 (E_RNA)
where:
Base-Base interactions energy: -1386.524
where: short stacking energy: -610.838
Base-Backbone interact. energy: -1.879
local terms energy: -678.327643
where:
bonds (distance) C4'-P energy: -135.879
bonds (distance) P-C4' energy: -123.649
flat angles C4'-P-C4' energy: -160.713
flat angles P-C4'-P energy: -84.338
tors. eta vs tors. theta energy: -173.748
Dist. restrs. and SS energy: 1.532 (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: 5
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -1964.537251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.537251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.951150 (E_RNA)
where:
Base-Base interactions energy: -1372.705
where: short stacking energy: -573.895
Base-Backbone interact. energy: 3.758
local terms energy: -598.003490
where:
bonds (distance) C4'-P energy: -109.075
bonds (distance) P-C4' energy: -123.988
flat angles C4'-P-C4' energy: -126.935
flat angles P-C4'-P energy: -97.225
tors. eta vs tors. theta energy: -140.781
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: 10, replica: 4
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -1883.434322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.434322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.504278 (E_RNA)
where:
Base-Base interactions energy: -1283.141
where: short stacking energy: -533.245
Base-Backbone interact. energy: 3.234
local terms energy: -606.597587
where:
bonds (distance) C4'-P energy: -125.081
bonds (distance) P-C4' energy: -126.951
flat angles C4'-P-C4' energy: -142.103
flat angles P-C4'-P energy: -81.665
tors. eta vs tors. theta energy: -130.797
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: 7
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -2930.489539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2930.489539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2931.819226 (E_RNA)
where:
Base-Base interactions energy: -2040.569
where: short stacking energy: -828.175
Base-Backbone interact. energy: -1.555
local terms energy: -889.695269
where:
bonds (distance) C4'-P energy: -163.590
bonds (distance) P-C4' energy: -156.183
flat angles C4'-P-C4' energy: -189.926
flat angles P-C4'-P energy: -138.051
tors. eta vs tors. theta energy: -241.945
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: 2, replica: 10
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -2761.401805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.401805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.228477 (E_RNA)
where:
Base-Base interactions energy: -1876.282
where: short stacking energy: -807.781
Base-Backbone interact. energy: -5.925
local terms energy: -881.021604
where:
bonds (distance) C4'-P energy: -157.354
bonds (distance) P-C4' energy: -154.833
flat angles C4'-P-C4' energy: -185.100
flat angles P-C4'-P energy: -135.244
tors. eta vs tors. theta energy: -248.491
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: 3, replica: 2
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -2714.005606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.005606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.072083 (E_RNA)
where:
Base-Base interactions energy: -1873.166
where: short stacking energy: -794.544
Base-Backbone interact. energy: -2.817
local terms energy: -840.089171
where:
bonds (distance) C4'-P energy: -146.448
bonds (distance) P-C4' energy: -154.582
flat angles C4'-P-C4' energy: -173.709
flat angles P-C4'-P energy: -129.612
tors. eta vs tors. theta energy: -235.738
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: 4, replica: 3
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -2575.067585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.067585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.989163 (E_RNA)
where:
Base-Base interactions energy: -1787.333
where: short stacking energy: -729.035
Base-Backbone interact. energy: 0.786
local terms energy: -790.442231
where:
bonds (distance) C4'-P energy: -152.607
bonds (distance) P-C4' energy: -159.072
flat angles C4'-P-C4' energy: -155.631
flat angles P-C4'-P energy: -108.167
tors. eta vs tors. theta energy: -214.965
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: 5, replica: 9
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -2482.810493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.810493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.886083 (E_RNA)
where:
Base-Base interactions energy: -1738.781
where: short stacking energy: -728.691
Base-Backbone interact. energy: -0.496
local terms energy: -745.609287
where:
bonds (distance) C4'-P energy: -143.177
bonds (distance) P-C4' energy: -126.970
flat angles C4'-P-C4' energy: -162.289
flat angles P-C4'-P energy: -104.162
tors. eta vs tors. theta energy: -209.012
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: 6, replica: 6
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -2277.998708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.998708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.704034 (E_RNA)
where:
Base-Base interactions energy: -1569.102
where: short stacking energy: -642.061
Base-Backbone interact. energy: 0.164
local terms energy: -711.765598
where:
bonds (distance) C4'-P energy: -132.877
bonds (distance) P-C4' energy: -146.175
flat angles C4'-P-C4' energy: -162.724
flat angles P-C4'-P energy: -87.020
tors. eta vs tors. theta energy: -182.970
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: 1
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -2235.013597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.013597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.753204 (E_RNA)
where:
Base-Base interactions energy: -1542.244
where: short stacking energy: -634.003
Base-Backbone interact. energy: -1.500
local terms energy: -694.009306
where:
bonds (distance) C4'-P energy: -136.737
bonds (distance) P-C4' energy: -122.754
flat angles C4'-P-C4' energy: -153.503
flat angles P-C4'-P energy: -92.454
tors. eta vs tors. theta energy: -188.561
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: 8, replica: 8
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -2084.074473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.074473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.743137 (E_RNA)
where:
Base-Base interactions energy: -1412.765
where: short stacking energy: -599.500
Base-Backbone interact. energy: -2.186
local terms energy: -671.791411
where:
bonds (distance) C4'-P energy: -115.037
bonds (distance) P-C4' energy: -138.641
flat angles C4'-P-C4' energy: -150.114
flat angles P-C4'-P energy: -98.862
tors. eta vs tors. theta energy: -169.136
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: 9, replica: 5
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -1895.356302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.356302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.148901 (E_RNA)
where:
Base-Base interactions energy: -1300.044
where: short stacking energy: -552.429
Base-Backbone interact. energy: 3.545
local terms energy: -602.649046
where:
bonds (distance) C4'-P energy: -115.471
bonds (distance) P-C4' energy: -124.336
flat angles C4'-P-C4' energy: -134.451
flat angles P-C4'-P energy: -95.745
tors. eta vs tors. theta energy: -132.646
Dist. restrs. and SS energy: 3.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -1886.001121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.001121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.709349 (E_RNA)
where:
Base-Base interactions energy: -1323.359
where: short stacking energy: -555.005
Base-Backbone interact. energy: 2.668
local terms energy: -569.018201
where:
bonds (distance) C4'-P energy: -99.479
bonds (distance) P-C4' energy: -112.919
flat angles C4'-P-C4' energy: -150.892
flat angles P-C4'-P energy: -71.328
tors. eta vs tors. theta energy: -134.400
Dist. restrs. and SS energy: 3.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -2925.432232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2925.432232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2926.778629 (E_RNA)
where:
Base-Base interactions energy: -2036.034
where: short stacking energy: -864.618
Base-Backbone interact. energy: -3.412
local terms energy: -887.333144
where:
bonds (distance) C4'-P energy: -170.847
bonds (distance) P-C4' energy: -166.163
flat angles C4'-P-C4' energy: -186.267
flat angles P-C4'-P energy: -120.174
tors. eta vs tors. theta energy: -243.882
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: 2, replica: 10
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -2806.076895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.076895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.319275 (E_RNA)
where:
Base-Base interactions energy: -1927.525
where: short stacking energy: -806.385
Base-Backbone interact. energy: -5.782
local terms energy: -875.012609
where:
bonds (distance) C4'-P energy: -170.570
bonds (distance) P-C4' energy: -153.774
flat angles C4'-P-C4' energy: -177.507
flat angles P-C4'-P energy: -131.475
tors. eta vs tors. theta energy: -241.687
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: 3, replica: 2
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -2678.953784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.953784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.327369 (E_RNA)
where:
Base-Base interactions energy: -1887.189
where: short stacking energy: -758.934
Base-Backbone interact. energy: -2.426
local terms energy: -790.712015
where:
bonds (distance) C4'-P energy: -135.096
bonds (distance) P-C4' energy: -154.604
flat angles C4'-P-C4' energy: -159.776
flat angles P-C4'-P energy: -119.597
tors. eta vs tors. theta energy: -221.639
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: 3
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -2611.296144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.296144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.209096 (E_RNA)
where:
Base-Base interactions energy: -1837.048
where: short stacking energy: -771.086
Base-Backbone interact. energy: -4.226
local terms energy: -771.935856
where:
bonds (distance) C4'-P energy: -140.564
bonds (distance) P-C4' energy: -139.473
flat angles C4'-P-C4' energy: -177.883
flat angles P-C4'-P energy: -101.105
tors. eta vs tors. theta energy: -212.911
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: 9
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -2489.789605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.789605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.855799 (E_RNA)
where:
Base-Base interactions energy: -1725.745
where: short stacking energy: -729.997
Base-Backbone interact. energy: -3.434
local terms energy: -763.677224
where:
bonds (distance) C4'-P energy: -126.721
bonds (distance) P-C4' energy: -167.717
flat angles C4'-P-C4' energy: -148.976
flat angles P-C4'-P energy: -100.076
tors. eta vs tors. theta energy: -220.188
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: 404
Temperature: 1.150000
Total energy: -2368.449826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.449826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.897109 (E_RNA)
where:
Base-Base interactions energy: -1599.394
where: short stacking energy: -696.459
Base-Backbone interact. energy: -1.672
local terms energy: -768.831177
where:
bonds (distance) C4'-P energy: -123.898
bonds (distance) P-C4' energy: -139.782
flat angles C4'-P-C4' energy: -179.002
flat angles P-C4'-P energy: -116.252
tors. eta vs tors. theta energy: -209.897
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: 7, replica: 1
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -2156.225445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.225445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.158174 (E_RNA)
where:
Base-Base interactions energy: -1440.537
where: short stacking energy: -595.624
Base-Backbone interact. energy: 3.621
local terms energy: -723.242607
where:
bonds (distance) C4'-P energy: -154.619
bonds (distance) P-C4' energy: -149.473
flat angles C4'-P-C4' energy: -151.760
flat angles P-C4'-P energy: -95.872
tors. eta vs tors. theta energy: -171.519
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: 8, replica: 8
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -2040.998064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.998064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.392891 (E_RNA)
where:
Base-Base interactions energy: -1372.746
where: short stacking energy: -598.101
Base-Backbone interact. energy: 1.483
local terms energy: -672.130366
where:
bonds (distance) C4'-P energy: -131.921
bonds (distance) P-C4' energy: -127.888
flat angles C4'-P-C4' energy: -155.590
flat angles P-C4'-P energy: -100.529
tors. eta vs tors. theta energy: -156.202
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: 9, replica: 4
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -1889.731679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.731679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.322980 (E_RNA)
where:
Base-Base interactions energy: -1243.939
where: short stacking energy: -527.426
Base-Backbone interact. energy: 0.945
local terms energy: -651.329242
where:
bonds (distance) C4'-P energy: -129.294
bonds (distance) P-C4' energy: -137.883
flat angles C4'-P-C4' energy: -144.178
flat angles P-C4'-P energy: -98.170
tors. eta vs tors. theta energy: -141.804
Dist. restrs. and SS energy: 4.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -1888.239342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.239342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.221757 (E_RNA)
where:
Base-Base interactions energy: -1289.008
where: short stacking energy: -569.306
Base-Backbone interact. energy: 0.611
local terms energy: -603.824962
where:
bonds (distance) C4'-P energy: -103.780
bonds (distance) P-C4' energy: -136.046
flat angles C4'-P-C4' energy: -133.446
flat angles P-C4'-P energy: -82.003
tors. eta vs tors. theta energy: -148.550
Dist. restrs. and SS energy: 3.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -2900.407559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2900.407559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2903.075696 (E_RNA)
where:
Base-Base interactions energy: -2004.730
where: short stacking energy: -837.582
Base-Backbone interact. energy: 0.563
local terms energy: -898.908624
where:
bonds (distance) C4'-P energy: -168.502
bonds (distance) P-C4' energy: -182.852
flat angles C4'-P-C4' energy: -184.859
flat angles P-C4'-P energy: -119.378
tors. eta vs tors. theta energy: -243.318
Dist. restrs. and SS energy: 2.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -2819.931423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.931423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.670517 (E_RNA)
where:
Base-Base interactions energy: -1957.584
where: short stacking energy: -813.191
Base-Backbone interact. energy: -5.491
local terms energy: -858.596127
where:
bonds (distance) C4'-P energy: -151.722
bonds (distance) P-C4' energy: -144.880
flat angles C4'-P-C4' energy: -184.455
flat angles P-C4'-P energy: -123.368
tors. eta vs tors. theta energy: -254.171
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: 2
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -2730.953054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.953054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.708179 (E_RNA)
where:
Base-Base interactions energy: -1911.164
where: short stacking energy: -784.369
Base-Backbone interact. energy: 5.806
local terms energy: -826.350608
where:
bonds (distance) C4'-P energy: -167.279
bonds (distance) P-C4' energy: -145.609
flat angles C4'-P-C4' energy: -183.772
flat angles P-C4'-P energy: -100.622
tors. eta vs tors. theta energy: -229.068
Dist. restrs. and SS energy: 0.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -2554.721189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.721189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.483211 (E_RNA)
where:
Base-Base interactions energy: -1755.850
where: short stacking energy: -766.286
Base-Backbone interact. energy: -7.472
local terms energy: -793.161790
where:
bonds (distance) C4'-P energy: -144.950
bonds (distance) P-C4' energy: -148.175
flat angles C4'-P-C4' energy: -166.920
flat angles P-C4'-P energy: -119.268
tors. eta vs tors. theta energy: -213.849
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: 5, replica: 3
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -2488.027183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.027183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.923120 (E_RNA)
where:
Base-Base interactions energy: -1697.651
where: short stacking energy: -705.625
Base-Backbone interact. energy: -3.381
local terms energy: -788.890691
where:
bonds (distance) C4'-P energy: -147.564
bonds (distance) P-C4' energy: -142.632
flat angles C4'-P-C4' energy: -174.584
flat angles P-C4'-P energy: -113.746
tors. eta vs tors. theta energy: -210.365
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: 6
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -2356.492075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.492075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.170846 (E_RNA)
where:
Base-Base interactions energy: -1582.054
where: short stacking energy: -658.189
Base-Backbone interact. energy: 0.427
local terms energy: -776.543614
where:
bonds (distance) C4'-P energy: -154.020
bonds (distance) P-C4' energy: -154.756
flat angles C4'-P-C4' energy: -159.873
flat angles P-C4'-P energy: -101.244
tors. eta vs tors. theta energy: -206.649
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: 7, replica: 1
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -2134.727092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.727092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.880084 (E_RNA)
where:
Base-Base interactions energy: -1438.152
where: short stacking energy: -598.003
Base-Backbone interact. energy: -2.250
local terms energy: -700.477825
where:
bonds (distance) C4'-P energy: -132.185
bonds (distance) P-C4' energy: -133.477
flat angles C4'-P-C4' energy: -158.600
flat angles P-C4'-P energy: -103.509
tors. eta vs tors. theta energy: -172.708
Dist. restrs. and SS energy: 6.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -1997.788046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.788046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.538616 (E_RNA)
where:
Base-Base interactions energy: -1328.350
where: short stacking energy: -549.212
Base-Backbone interact. energy: -3.724
local terms energy: -669.464914
where:
bonds (distance) C4'-P energy: -136.528
bonds (distance) P-C4' energy: -136.662
flat angles C4'-P-C4' energy: -154.932
flat angles P-C4'-P energy: -111.014
tors. eta vs tors. theta energy: -130.329
Dist. restrs. and SS energy: 3.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -1937.071576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.071576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.443390 (E_RNA)
where:
Base-Base interactions energy: -1319.962
where: short stacking energy: -549.229
Base-Backbone interact. energy: 3.342
local terms energy: -623.823486
where:
bonds (distance) C4'-P energy: -126.886
bonds (distance) P-C4' energy: -122.725
flat angles C4'-P-C4' energy: -148.707
flat angles P-C4'-P energy: -84.286
tors. eta vs tors. theta energy: -141.219
Dist. restrs. and SS energy: 3.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -1892.384859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.384859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.126662 (E_RNA)
where:
Base-Base interactions energy: -1329.543
where: short stacking energy: -561.339
Base-Backbone interact. energy: 0.509
local terms energy: -567.092046
where:
bonds (distance) C4'-P energy: -116.583
bonds (distance) P-C4' energy: -115.902
flat angles C4'-P-C4' energy: -134.643
flat angles P-C4'-P energy: -66.511
tors. eta vs tors. theta energy: -133.452
Dist. restrs. and SS energy: 3.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -2949.109988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2949.109988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2950.498192 (E_RNA)
where:
Base-Base interactions energy: -2030.599
where: short stacking energy: -853.504
Base-Backbone interact. energy: -1.687
local terms energy: -918.211826
where:
bonds (distance) C4'-P energy: -165.652
bonds (distance) P-C4' energy: -168.765
flat angles C4'-P-C4' energy: -195.996
flat angles P-C4'-P energy: -131.204
tors. eta vs tors. theta energy: -256.595
Dist. restrs. and SS energy: 1.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -2843.599207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.599207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2845.339347 (E_RNA)
where:
Base-Base interactions energy: -1992.143
where: short stacking energy: -826.322
Base-Backbone interact. energy: -2.437
local terms energy: -850.759023
where:
bonds (distance) C4'-P energy: -141.320
bonds (distance) P-C4' energy: -146.949
flat angles C4'-P-C4' energy: -186.757
flat angles P-C4'-P energy: -122.888
tors. eta vs tors. theta energy: -252.845
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: 3, replica: 2
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -2703.114400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.114400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.778038 (E_RNA)
where:
Base-Base interactions energy: -1871.368
where: short stacking energy: -774.469
Base-Backbone interact. energy: -2.302
local terms energy: -832.107940
where:
bonds (distance) C4'-P energy: -148.279
bonds (distance) P-C4' energy: -165.160
flat angles C4'-P-C4' energy: -179.135
flat angles P-C4'-P energy: -110.521
tors. eta vs tors. theta energy: -229.013
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: 4, replica: 9
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -2575.867169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.867169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.138888 (E_RNA)
where:
Base-Base interactions energy: -1773.935
where: short stacking energy: -712.687
Base-Backbone interact. energy: 6.982
local terms energy: -810.185941
where:
bonds (distance) C4'-P energy: -135.884
bonds (distance) P-C4' energy: -149.527
flat angles C4'-P-C4' energy: -183.121
flat angles P-C4'-P energy: -127.857
tors. eta vs tors. theta energy: -213.797
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: 5, replica: 3
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -2462.936315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.936315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.328219 (E_RNA)
where:
Base-Base interactions energy: -1698.261
where: short stacking energy: -698.665
Base-Backbone interact. energy: -2.133
local terms energy: -765.933893
where:
bonds (distance) C4'-P energy: -140.311
bonds (distance) P-C4' energy: -153.093
flat angles C4'-P-C4' energy: -176.391
flat angles P-C4'-P energy: -103.339
tors. eta vs tors. theta energy: -192.800
Dist. restrs. and SS energy: 3.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -2343.486187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.486187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.653601 (E_RNA)
where:
Base-Base interactions energy: -1613.464
where: short stacking energy: -674.739
Base-Backbone interact. energy: -1.287
local terms energy: -731.901830
where:
bonds (distance) C4'-P energy: -144.317
bonds (distance) P-C4' energy: -154.729
flat angles C4'-P-C4' energy: -143.036
flat angles P-C4'-P energy: -97.786
tors. eta vs tors. theta energy: -192.033
Dist. restrs. and SS energy: 3.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -2161.766767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.766767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.164650 (E_RNA)
where:
Base-Base interactions energy: -1465.316
where: short stacking energy: -623.638
Base-Backbone interact. energy: -0.785
local terms energy: -698.063470
where:
bonds (distance) C4'-P energy: -128.987
bonds (distance) P-C4' energy: -138.148
flat angles C4'-P-C4' energy: -149.291
flat angles P-C4'-P energy: -100.164
tors. eta vs tors. theta energy: -181.473
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: 8, replica: 8
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -2017.750911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.750911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.584052 (E_RNA)
where:
Base-Base interactions energy: -1369.754
where: short stacking energy: -568.929
Base-Backbone interact. energy: -0.175
local terms energy: -649.654739
where:
bonds (distance) C4'-P energy: -131.191
bonds (distance) P-C4' energy: -152.634
flat angles C4'-P-C4' energy: -140.794
flat angles P-C4'-P energy: -72.940
tors. eta vs tors. theta energy: -152.097
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: 9, replica: 4
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -1925.691199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.691199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.580042 (E_RNA)
where:
Base-Base interactions energy: -1322.873
where: short stacking energy: -566.851
Base-Backbone interact. energy: -1.836
local terms energy: -604.871294
where:
bonds (distance) C4'-P energy: -130.966
bonds (distance) P-C4' energy: -110.780
flat angles C4'-P-C4' energy: -152.316
flat angles P-C4'-P energy: -69.400
tors. eta vs tors. theta energy: -141.411
Dist. restrs. and SS energy: 3.889 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -1831.226444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.226444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.754031 (E_RNA)
where:
Base-Base interactions energy: -1243.149
where: short stacking energy: -518.514
Base-Backbone interact. energy: 6.689
local terms energy: -600.294579
where:
bonds (distance) C4'-P energy: -116.971
bonds (distance) P-C4' energy: -114.068
flat angles C4'-P-C4' energy: -133.876
flat angles P-C4'-P energy: -107.793
tors. eta vs tors. theta energy: -127.586
Dist. restrs. and SS energy: 5.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -2934.149986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2934.149986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2935.841427 (E_RNA)
where:
Base-Base interactions energy: -2024.693
where: short stacking energy: -843.279
Base-Backbone interact. energy: -6.406
local terms energy: -904.742971
where:
bonds (distance) C4'-P energy: -164.838
bonds (distance) P-C4' energy: -176.344
flat angles C4'-P-C4' energy: -188.819
flat angles P-C4'-P energy: -120.863
tors. eta vs tors. theta energy: -253.880
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: 2, replica: 10
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -2830.553618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.553618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.387038 (E_RNA)
where:
Base-Base interactions energy: -1957.237
where: short stacking energy: -832.602
Base-Backbone interact. energy: -1.158
local terms energy: -873.991881
where:
bonds (distance) C4'-P energy: -162.205
bonds (distance) P-C4' energy: -153.442
flat angles C4'-P-C4' energy: -175.522
flat angles P-C4'-P energy: -130.557
tors. eta vs tors. theta energy: -252.265
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: 3, replica: 2
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -2714.022181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.022181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.356934 (E_RNA)
where:
Base-Base interactions energy: -1881.193
where: short stacking energy: -782.158
Base-Backbone interact. energy: -0.199
local terms energy: -833.965347
where:
bonds (distance) C4'-P energy: -155.067
bonds (distance) P-C4' energy: -151.342
flat angles C4'-P-C4' energy: -180.021
flat angles P-C4'-P energy: -119.597
tors. eta vs tors. theta energy: -227.938
Dist. restrs. and SS energy: 1.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -2621.768187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.768187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.492940 (E_RNA)
where:
Base-Base interactions energy: -1819.516
where: short stacking energy: -758.207
Base-Backbone interact. energy: -0.206
local terms energy: -803.770291
where:
bonds (distance) C4'-P energy: -135.564
bonds (distance) P-C4' energy: -158.189
flat angles C4'-P-C4' energy: -184.911
flat angles P-C4'-P energy: -97.903
tors. eta vs tors. theta energy: -227.203
Dist. restrs. and SS energy: 1.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -2509.925509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.925509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.023797 (E_RNA)
where:
Base-Base interactions energy: -1715.146
where: short stacking energy: -742.681
Base-Backbone interact. energy: -3.322
local terms energy: -793.556571
where:
bonds (distance) C4'-P energy: -139.253
bonds (distance) P-C4' energy: -142.926
flat angles C4'-P-C4' energy: -182.710
flat angles P-C4'-P energy: -107.068
tors. eta vs tors. theta energy: -221.600
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: 6
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -2338.994514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.994514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.100126 (E_RNA)
where:
Base-Base interactions energy: -1583.900
where: short stacking energy: -675.008
Base-Backbone interact. energy: 0.840
local terms energy: -758.040066
where:
bonds (distance) C4'-P energy: -137.225
bonds (distance) P-C4' energy: -149.120
flat angles C4'-P-C4' energy: -157.931
flat angles P-C4'-P energy: -117.475
tors. eta vs tors. theta energy: -196.290
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: 7, replica: 1
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -2162.154600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.154600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.995338 (E_RNA)
where:
Base-Base interactions energy: -1462.910
where: short stacking energy: -624.048
Base-Backbone interact. energy: -1.622
local terms energy: -700.463200
where:
bonds (distance) C4'-P energy: -137.106
bonds (distance) P-C4' energy: -149.087
flat angles C4'-P-C4' energy: -152.695
flat angles P-C4'-P energy: -94.589
tors. eta vs tors. theta energy: -166.986
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: 8, replica: 8
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -2011.213186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.213186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.998530 (E_RNA)
where:
Base-Base interactions energy: -1343.490
where: short stacking energy: -570.032
Base-Backbone interact. energy: -2.191
local terms energy: -668.317625
where:
bonds (distance) C4'-P energy: -129.412
bonds (distance) P-C4' energy: -136.079
flat angles C4'-P-C4' energy: -146.328
flat angles P-C4'-P energy: -101.313
tors. eta vs tors. theta energy: -155.186
Dist. restrs. and SS energy: 2.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -1924.242891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.242891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.609847 (E_RNA)
where:
Base-Base interactions energy: -1298.626
where: short stacking energy: -548.868
Base-Backbone interact. energy: 4.136
local terms energy: -633.120108
where:
bonds (distance) C4'-P energy: -137.663
bonds (distance) P-C4' energy: -111.381
flat angles C4'-P-C4' energy: -158.208
flat angles P-C4'-P energy: -84.928
tors. eta vs tors. theta energy: -140.941
Dist. restrs. and SS energy: 3.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -1841.388655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.388655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.366545 (E_RNA)
where:
Base-Base interactions energy: -1267.245
where: short stacking energy: -530.636
Base-Backbone interact. energy: 0.515
local terms energy: -577.636657
where:
bonds (distance) C4'-P energy: -128.473
bonds (distance) P-C4' energy: -130.575
flat angles C4'-P-C4' energy: -116.284
flat angles P-C4'-P energy: -64.280
tors. eta vs tors. theta energy: -138.024
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: 1, replica: 7
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -2930.368359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2930.368359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2931.590910 (E_RNA)
where:
Base-Base interactions energy: -2038.956
where: short stacking energy: -864.968
Base-Backbone interact. energy: -3.991
local terms energy: -888.643586
where:
bonds (distance) C4'-P energy: -176.121
bonds (distance) P-C4' energy: -155.967
flat angles C4'-P-C4' energy: -183.173
flat angles P-C4'-P energy: -126.217
tors. eta vs tors. theta energy: -247.166
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: 10
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -2834.150076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2834.150076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.342121 (E_RNA)
where:
Base-Base interactions energy: -1962.120
where: short stacking energy: -830.114
Base-Backbone interact. energy: -0.600
local terms energy: -872.621925
where:
bonds (distance) C4'-P energy: -155.279
bonds (distance) P-C4' energy: -158.917
flat angles C4'-P-C4' energy: -181.937
flat angles P-C4'-P energy: -130.622
tors. eta vs tors. theta energy: -245.867
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: 2
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -2710.328078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.328078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.511749 (E_RNA)
where:
Base-Base interactions energy: -1873.248
where: short stacking energy: -752.134
Base-Backbone interact. energy: -4.072
local terms energy: -834.190862
where:
bonds (distance) C4'-P energy: -139.774
bonds (distance) P-C4' energy: -151.357
flat angles C4'-P-C4' energy: -175.870
flat angles P-C4'-P energy: -130.500
tors. eta vs tors. theta energy: -236.690
Dist. restrs. and SS energy: 1.184 (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: 9
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -2597.588415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.588415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.017868 (E_RNA)
where:
Base-Base interactions energy: -1802.515
where: short stacking energy: -785.158
Base-Backbone interact. energy: -1.944
local terms energy: -794.558844
where:
bonds (distance) C4'-P energy: -129.451
bonds (distance) P-C4' energy: -145.812
flat angles C4'-P-C4' energy: -176.392
flat angles P-C4'-P energy: -115.063
tors. eta vs tors. theta energy: -227.841
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: 3
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -2527.234575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.234575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.919306 (E_RNA)
where:
Base-Base interactions energy: -1765.598
where: short stacking energy: -737.703
Base-Backbone interact. energy: -0.141
local terms energy: -763.180455
where:
bonds (distance) C4'-P energy: -142.068
bonds (distance) P-C4' energy: -145.098
flat angles C4'-P-C4' energy: -159.671
flat angles P-C4'-P energy: -106.603
tors. eta vs tors. theta energy: -209.740
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: 6, replica: 6
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -2297.700061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.700061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.498684 (E_RNA)
where:
Base-Base interactions energy: -1560.637
where: short stacking energy: -653.201
Base-Backbone interact. energy: -2.467
local terms energy: -736.395123
where:
bonds (distance) C4'-P energy: -146.371
bonds (distance) P-C4' energy: -131.648
flat angles C4'-P-C4' energy: -165.914
flat angles P-C4'-P energy: -103.874
tors. eta vs tors. theta energy: -188.588
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: 7, replica: 1
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -2203.635304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.635304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.612229 (E_RNA)
where:
Base-Base interactions energy: -1503.880
where: short stacking energy: -650.174
Base-Backbone interact. energy: 3.852
local terms energy: -705.583390
where:
bonds (distance) C4'-P energy: -133.158
bonds (distance) P-C4' energy: -132.242
flat angles C4'-P-C4' energy: -152.797
flat angles P-C4'-P energy: -106.389
tors. eta vs tors. theta energy: -180.998
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: 8, replica: 8
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -1992.298253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.298253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.018215 (E_RNA)
where:
Base-Base interactions energy: -1370.369
where: short stacking energy: -583.653
Base-Backbone interact. energy: 0.430
local terms energy: -625.079520
where:
bonds (distance) C4'-P energy: -132.752
bonds (distance) P-C4' energy: -127.791
flat angles C4'-P-C4' energy: -133.888
flat angles P-C4'-P energy: -83.933
tors. eta vs tors. theta energy: -146.716
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: 4
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -1938.636687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.636687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.569027 (E_RNA)
where:
Base-Base interactions energy: -1374.039
where: short stacking energy: -577.123
Base-Backbone interact. energy: -3.030
local terms energy: -564.499310
where:
bonds (distance) C4'-P energy: -105.079
bonds (distance) P-C4' energy: -122.853
flat angles C4'-P-C4' energy: -149.648
flat angles P-C4'-P energy: -43.981
tors. eta vs tors. theta energy: -142.938
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: 5
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -1845.644333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.644333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.406903 (E_RNA)
where:
Base-Base interactions energy: -1283.073
where: short stacking energy: -543.975
Base-Backbone interact. energy: 7.794
local terms energy: -573.128471
where:
bonds (distance) C4'-P energy: -114.748
bonds (distance) P-C4' energy: -105.770
flat angles C4'-P-C4' energy: -140.829
flat angles P-C4'-P energy: -77.500
tors. eta vs tors. theta energy: -134.281
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: 1, replica: 7
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -2951.278534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2951.278534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2952.701660 (E_RNA)
where:
Base-Base interactions energy: -2073.560
where: short stacking energy: -859.007
Base-Backbone interact. energy: 7.614
local terms energy: -886.755491
where:
bonds (distance) C4'-P energy: -159.135
bonds (distance) P-C4' energy: -164.967
flat angles C4'-P-C4' energy: -182.159
flat angles P-C4'-P energy: -130.030
tors. eta vs tors. theta energy: -250.465
Dist. restrs. and SS energy: 1.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -2841.009116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2841.009116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2842.528172 (E_RNA)
where:
Base-Base interactions energy: -1995.433
where: short stacking energy: -836.889
Base-Backbone interact. energy: -4.119
local terms energy: -842.976533
where:
bonds (distance) C4'-P energy: -155.262
bonds (distance) P-C4' energy: -134.123
flat angles C4'-P-C4' energy: -185.091
flat angles P-C4'-P energy: -124.549
tors. eta vs tors. theta energy: -243.951
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: 3, replica: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -2766.676944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.676944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.581925 (E_RNA)
where:
Base-Base interactions energy: -1918.064
where: short stacking energy: -786.848
Base-Backbone interact. energy: -4.325
local terms energy: -846.193138
where:
bonds (distance) C4'-P energy: -150.782
bonds (distance) P-C4' energy: -172.913
flat angles C4'-P-C4' energy: -169.501
flat angles P-C4'-P energy: -113.801
tors. eta vs tors. theta energy: -239.196
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: 4, replica: 9
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -2571.292075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.292075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.357650 (E_RNA)
where:
Base-Base interactions energy: -1742.741
where: short stacking energy: -761.867
Base-Backbone interact. energy: -0.908
local terms energy: -829.709548
where:
bonds (distance) C4'-P energy: -164.623
bonds (distance) P-C4' energy: -159.936
flat angles C4'-P-C4' energy: -168.156
flat angles P-C4'-P energy: -122.522
tors. eta vs tors. theta energy: -214.473
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: 5, replica: 3
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -2515.637023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.637023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.284111 (E_RNA)
where:
Base-Base interactions energy: -1744.733
where: short stacking energy: -722.507
Base-Backbone interact. energy: 0.668
local terms energy: -773.219376
where:
bonds (distance) C4'-P energy: -130.812
bonds (distance) P-C4' energy: -149.749
flat angles C4'-P-C4' energy: -172.817
flat angles P-C4'-P energy: -107.881
tors. eta vs tors. theta energy: -211.960
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: 6, replica: 6
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -2263.980783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.980783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.221289 (E_RNA)
where:
Base-Base interactions energy: -1562.738
where: short stacking energy: -670.540
Base-Backbone interact. energy: -2.035
local terms energy: -700.448773
where:
bonds (distance) C4'-P energy: -141.115
bonds (distance) P-C4' energy: -133.125
flat angles C4'-P-C4' energy: -151.525
flat angles P-C4'-P energy: -101.052
tors. eta vs tors. theta energy: -173.631
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: 7, replica: 1
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -2122.239269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.239269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.054053 (E_RNA)
where:
Base-Base interactions energy: -1435.712
where: short stacking energy: -606.900
Base-Backbone interact. energy: -0.977
local terms energy: -689.364358
where:
bonds (distance) C4'-P energy: -126.657
bonds (distance) P-C4' energy: -139.849
flat angles C4'-P-C4' energy: -137.790
flat angles P-C4'-P energy: -114.047
tors. eta vs tors. theta energy: -171.021
Dist. restrs. and SS energy: 3.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -2028.070953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.070953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.671893 (E_RNA)
where:
Base-Base interactions energy: -1381.009
where: short stacking energy: -578.555
Base-Backbone interact. energy: 5.928
local terms energy: -655.590520
where:
bonds (distance) C4'-P energy: -123.532
bonds (distance) P-C4' energy: -143.820
flat angles C4'-P-C4' energy: -160.753
flat angles P-C4'-P energy: -77.552
tors. eta vs tors. theta energy: -149.933
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: 9, replica: 8
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -1967.438733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.438733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.013951 (E_RNA)
where:
Base-Base interactions energy: -1312.134
where: short stacking energy: -541.852
Base-Backbone interact. energy: -2.243
local terms energy: -655.637006
where:
bonds (distance) C4'-P energy: -124.893
bonds (distance) P-C4' energy: -149.458
flat angles C4'-P-C4' energy: -142.999
flat angles P-C4'-P energy: -93.988
tors. eta vs tors. theta energy: -144.299
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: 10, replica: 5
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -1821.950134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.950134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.023257 (E_RNA)
where:
Base-Base interactions energy: -1238.965
where: short stacking energy: -504.699
Base-Backbone interact. energy: 1.408
local terms energy: -587.467023
where:
bonds (distance) C4'-P energy: -117.940
bonds (distance) P-C4' energy: -122.342
flat angles C4'-P-C4' energy: -135.382
flat angles P-C4'-P energy: -80.444
tors. eta vs tors. theta energy: -131.360
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: 7
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -2927.844363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2927.844363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2929.394662 (E_RNA)
where:
Base-Base interactions energy: -2028.654
where: short stacking energy: -833.257
Base-Backbone interact. energy: -2.024
local terms energy: -898.716458
where:
bonds (distance) C4'-P energy: -152.387
bonds (distance) P-C4' energy: -168.896
flat angles C4'-P-C4' energy: -188.957
flat angles P-C4'-P energy: -140.578
tors. eta vs tors. theta energy: -247.898
Dist. restrs. and SS energy: 1.550 (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: 10
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -2825.726560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.726560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.080443 (E_RNA)
where:
Base-Base interactions energy: -1976.022
where: short stacking energy: -804.894
Base-Backbone interact. energy: -4.029
local terms energy: -847.029224
where:
bonds (distance) C4'-P energy: -154.670
bonds (distance) P-C4' energy: -154.069
flat angles C4'-P-C4' energy: -182.998
flat angles P-C4'-P energy: -123.785
tors. eta vs tors. theta energy: -231.506
Dist. restrs. and SS energy: 1.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -2779.594978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2779.594978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.919036 (E_RNA)
where:
Base-Base interactions energy: -1909.173
where: short stacking energy: -781.401
Base-Backbone interact. energy: -0.115
local terms energy: -871.630611
where:
bonds (distance) C4'-P energy: -144.262
bonds (distance) P-C4' energy: -163.714
flat angles C4'-P-C4' energy: -198.453
flat angles P-C4'-P energy: -115.868
tors. eta vs tors. theta energy: -249.334
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: 4, replica: 9
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -2586.046750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.046750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.561899 (E_RNA)
where:
Base-Base interactions energy: -1771.637
where: short stacking energy: -750.969
Base-Backbone interact. energy: -1.203
local terms energy: -814.722148
where:
bonds (distance) C4'-P energy: -151.945
bonds (distance) P-C4' energy: -161.801
flat angles C4'-P-C4' energy: -169.301
flat angles P-C4'-P energy: -113.619
tors. eta vs tors. theta energy: -218.057
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: 3
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -2533.080693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.080693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.851934 (E_RNA)
where:
Base-Base interactions energy: -1756.054
where: short stacking energy: -710.773
Base-Backbone interact. energy: -2.665
local terms energy: -776.132746
where:
bonds (distance) C4'-P energy: -140.814
bonds (distance) P-C4' energy: -153.152
flat angles C4'-P-C4' energy: -180.439
flat angles P-C4'-P energy: -100.699
tors. eta vs tors. theta energy: -201.028
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: 6, replica: 6
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -2275.298785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.298785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.079583 (E_RNA)
where:
Base-Base interactions energy: -1548.659
where: short stacking energy: -655.971
Base-Backbone interact. energy: 12.740
local terms energy: -743.160445
where:
bonds (distance) C4'-P energy: -146.432
bonds (distance) P-C4' energy: -143.868
flat angles C4'-P-C4' energy: -160.537
flat angles P-C4'-P energy: -98.713
tors. eta vs tors. theta energy: -193.611
Dist. restrs. and SS energy: 3.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -2155.238057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.238057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.308252 (E_RNA)
where:
Base-Base interactions energy: -1500.534
where: short stacking energy: -641.815
Base-Backbone interact. energy: 3.483
local terms energy: -660.257373
where:
bonds (distance) C4'-P energy: -114.990
bonds (distance) P-C4' energy: -130.715
flat angles C4'-P-C4' energy: -150.633
flat angles P-C4'-P energy: -93.908
tors. eta vs tors. theta energy: -170.012
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: 8, replica: 4
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -2029.597654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.597654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.791746 (E_RNA)
where:
Base-Base interactions energy: -1354.688
where: short stacking energy: -556.613
Base-Backbone interact. energy: 5.293
local terms energy: -681.397599
where:
bonds (distance) C4'-P energy: -130.762
bonds (distance) P-C4' energy: -160.312
flat angles C4'-P-C4' energy: -155.298
flat angles P-C4'-P energy: -88.021
tors. eta vs tors. theta energy: -147.005
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: 9, replica: 5
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -1965.398106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.398106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.280641 (E_RNA)
where:
Base-Base interactions energy: -1322.353
where: short stacking energy: -572.547
Base-Backbone interact. energy: 2.661
local terms energy: -648.588530
where:
bonds (distance) C4'-P energy: -126.420
bonds (distance) P-C4' energy: -143.732
flat angles C4'-P-C4' energy: -139.301
flat angles P-C4'-P energy: -85.125
tors. eta vs tors. theta energy: -154.011
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: 10, replica: 8
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -1862.075780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.075780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.870026 (E_RNA)
where:
Base-Base interactions energy: -1281.499
where: short stacking energy: -539.135
Base-Backbone interact. energy: -0.775
local terms energy: -582.596249
where:
bonds (distance) C4'-P energy: -126.659
bonds (distance) P-C4' energy: -120.627
flat angles C4'-P-C4' energy: -128.057
flat angles P-C4'-P energy: -64.861
tors. eta vs tors. theta energy: -142.392
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: 1, replica: 7
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -2910.397935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2910.397935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2912.306418 (E_RNA)
where:
Base-Base interactions energy: -1996.522
where: short stacking energy: -843.927
Base-Backbone interact. energy: -3.852
local terms energy: -911.933306
where:
bonds (distance) C4'-P energy: -179.725
bonds (distance) P-C4' energy: -166.432
flat angles C4'-P-C4' energy: -199.250
flat angles P-C4'-P energy: -104.511
tors. eta vs tors. theta energy: -262.015
Dist. restrs. and SS energy: 1.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -2797.730132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.730132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.748224 (E_RNA)
where:
Base-Base interactions energy: -1926.589
where: short stacking energy: -804.416
Base-Backbone interact. energy: -3.138
local terms energy: -870.020872
where:
bonds (distance) C4'-P energy: -159.713
bonds (distance) P-C4' energy: -154.835
flat angles C4'-P-C4' energy: -178.668
flat angles P-C4'-P energy: -127.183
tors. eta vs tors. theta energy: -249.622
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: 3, replica: 2
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -2726.489188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.489188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.331558 (E_RNA)
where:
Base-Base interactions energy: -1881.875
where: short stacking energy: -791.154
Base-Backbone interact. energy: 1.642
local terms energy: -847.098252
where:
bonds (distance) C4'-P energy: -147.896
bonds (distance) P-C4' energy: -162.419
flat angles C4'-P-C4' energy: -192.154
flat angles P-C4'-P energy: -115.316
tors. eta vs tors. theta energy: -229.314
Dist. restrs. and SS energy: 0.842 (S_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: 411
Temperature: 1.050000
Total energy: -2591.692185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.692185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.606099 (E_RNA)
where:
Base-Base interactions energy: -1789.120
where: short stacking energy: -765.298
Base-Backbone interact. energy: -0.244
local terms energy: -804.242616
where:
bonds (distance) C4'-P energy: -152.683
bonds (distance) P-C4' energy: -147.597
flat angles C4'-P-C4' energy: -179.270
flat angles P-C4'-P energy: -117.787
tors. eta vs tors. theta energy: -206.905
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: 5, replica: 9
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -2455.125522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.125522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.436068 (E_RNA)
where:
Base-Base interactions energy: -1676.039
where: short stacking energy: -715.026
Base-Backbone interact. energy: -2.764
local terms energy: -778.632932
where:
bonds (distance) C4'-P energy: -150.336
bonds (distance) P-C4' energy: -154.284
flat angles C4'-P-C4' energy: -168.791
flat angles P-C4'-P energy: -107.909
tors. eta vs tors. theta energy: -197.313
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: 411
Temperature: 1.150000
Total energy: -2324.173753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.173753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.049236 (E_RNA)
where:
Base-Base interactions energy: -1601.771
where: short stacking energy: -672.716
Base-Backbone interact. energy: 3.825
local terms energy: -728.102421
where:
bonds (distance) C4'-P energy: -129.609
bonds (distance) P-C4' energy: -138.110
flat angles C4'-P-C4' energy: -162.234
flat angles P-C4'-P energy: -101.349
tors. eta vs tors. theta energy: -196.800
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: 1
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -2152.382176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.382176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.085738 (E_RNA)
where:
Base-Base interactions energy: -1481.543
where: short stacking energy: -637.721
Base-Backbone interact. energy: -3.671
local terms energy: -668.871471
where:
bonds (distance) C4'-P energy: -118.615
bonds (distance) P-C4' energy: -135.599
flat angles C4'-P-C4' energy: -159.747
flat angles P-C4'-P energy: -80.848
tors. eta vs tors. theta energy: -174.062
Dist. restrs. and SS energy: 1.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -2019.068204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.068204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.296645 (E_RNA)
where:
Base-Base interactions energy: -1345.542
where: short stacking energy: -571.845
Base-Backbone interact. energy: -2.881
local terms energy: -672.874422
where:
bonds (distance) C4'-P energy: -123.472
bonds (distance) P-C4' energy: -135.067
flat angles C4'-P-C4' energy: -153.933
flat angles P-C4'-P energy: -107.367
tors. eta vs tors. theta energy: -153.035
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: 9, replica: 5
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -1924.359717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.359717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.144360 (E_RNA)
where:
Base-Base interactions energy: -1304.846
where: short stacking energy: -542.265
Base-Backbone interact. energy: -1.653
local terms energy: -620.645870
where:
bonds (distance) C4'-P energy: -149.192
bonds (distance) P-C4' energy: -128.068
flat angles C4'-P-C4' energy: -130.157
flat angles P-C4'-P energy: -69.364
tors. eta vs tors. theta energy: -143.865
Dist. restrs. and SS energy: 2.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -1883.081822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.081822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.587389 (E_RNA)
where:
Base-Base interactions energy: -1259.316
where: short stacking energy: -531.715
Base-Backbone interact. energy: 1.318
local terms energy: -628.589364
where:
bonds (distance) C4'-P energy: -141.159
bonds (distance) P-C4' energy: -119.911
flat angles C4'-P-C4' energy: -134.141
flat angles P-C4'-P energy: -90.270
tors. eta vs tors. theta energy: -143.108
Dist. restrs. and SS energy: 3.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -2936.633945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2936.633945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2938.655958 (E_RNA)
where:
Base-Base interactions energy: -2034.456
where: short stacking energy: -851.424
Base-Backbone interact. energy: -3.957
local terms energy: -900.243189
where:
bonds (distance) C4'-P energy: -157.762
bonds (distance) P-C4' energy: -163.050
flat angles C4'-P-C4' energy: -192.242
flat angles P-C4'-P energy: -134.865
tors. eta vs tors. theta energy: -252.324
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: 2, replica: 10
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -2806.432918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.432918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.122440 (E_RNA)
where:
Base-Base interactions energy: -1955.051
where: short stacking energy: -835.479
Base-Backbone interact. energy: -2.093
local terms energy: -851.978894
where:
bonds (distance) C4'-P energy: -151.925
bonds (distance) P-C4' energy: -157.735
flat angles C4'-P-C4' energy: -182.301
flat angles P-C4'-P energy: -113.335
tors. eta vs tors. theta energy: -246.683
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: 3, replica: 2
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -2761.220127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.220127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.636233 (E_RNA)
where:
Base-Base interactions energy: -1949.349
where: short stacking energy: -814.647
Base-Backbone interact. energy: 1.138
local terms energy: -814.425392
where:
bonds (distance) C4'-P energy: -143.385
bonds (distance) P-C4' energy: -149.038
flat angles C4'-P-C4' energy: -164.398
flat angles P-C4'-P energy: -125.407
tors. eta vs tors. theta energy: -232.197
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: 4, replica: 3
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -2594.001308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.001308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.792306 (E_RNA)
where:
Base-Base interactions energy: -1789.517
where: short stacking energy: -734.910
Base-Backbone interact. energy: -3.057
local terms energy: -805.218241
where:
bonds (distance) C4'-P energy: -149.380
bonds (distance) P-C4' energy: -162.817
flat angles C4'-P-C4' energy: -157.921
flat angles P-C4'-P energy: -123.010
tors. eta vs tors. theta energy: -212.091
Dist. restrs. and SS energy: 3.791 (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: 9
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -2512.063634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.063634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.076112 (E_RNA)
where:
Base-Base interactions energy: -1717.548
where: short stacking energy: -753.519
Base-Backbone interact. energy: -1.641
local terms energy: -794.886940
where:
bonds (distance) C4'-P energy: -118.842
bonds (distance) P-C4' energy: -140.221
flat angles C4'-P-C4' energy: -186.727
flat angles P-C4'-P energy: -121.443
tors. eta vs tors. theta energy: -227.654
Dist. restrs. and SS energy: 2.012 (S_DIST_RNA)
chem. 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: -2302.489300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.489300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.144244 (E_RNA)
where:
Base-Base interactions energy: -1579.038
where: short stacking energy: -643.623
Base-Backbone interact. energy: -1.559
local terms energy: -724.547569
where:
bonds (distance) C4'-P energy: -141.363
bonds (distance) P-C4' energy: -129.940
flat angles C4'-P-C4' energy: -166.812
flat angles P-C4'-P energy: -111.343
tors. eta vs tors. theta energy: -175.088
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: 7, replica: 1
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -2172.356595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.356595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.766232 (E_RNA)
where:
Base-Base interactions energy: -1481.762
where: short stacking energy: -642.208
Base-Backbone interact. energy: -1.112
local terms energy: -691.892379
where:
bonds (distance) C4'-P energy: -138.152
bonds (distance) P-C4' energy: -129.932
flat angles C4'-P-C4' energy: -142.394
flat angles P-C4'-P energy: -102.203
tors. eta vs tors. theta energy: -179.211
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: 8, replica: 4
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -2041.667865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.667865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.590136 (E_RNA)
where:
Base-Base interactions energy: -1396.153
where: short stacking energy: -603.278
Base-Backbone interact. energy: 5.906
local terms energy: -655.343652
where:
bonds (distance) C4'-P energy: -96.040
bonds (distance) P-C4' energy: -128.944
flat angles C4'-P-C4' energy: -161.807
flat angles P-C4'-P energy: -100.585
tors. eta vs tors. theta energy: -167.967
Dist. restrs. and SS energy: 3.922 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -1892.205603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.205603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.640504 (E_RNA)
where:
Base-Base interactions energy: -1271.924
where: short stacking energy: -527.369
Base-Backbone interact. energy: 0.123
local terms energy: -625.839338
where:
bonds (distance) C4'-P energy: -137.462
bonds (distance) P-C4' energy: -143.959
flat angles C4'-P-C4' energy: -146.374
flat angles P-C4'-P energy: -77.249
tors. eta vs tors. theta energy: -120.795
Dist. restrs. and SS energy: 5.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -1860.237128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.237128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.220864 (E_RNA)
where:
Base-Base interactions energy: -1263.934
where: short stacking energy: -533.326
Base-Backbone interact. energy: 0.355
local terms energy: -599.642493
where:
bonds (distance) C4'-P energy: -125.214
bonds (distance) P-C4' energy: -130.654
flat angles C4'-P-C4' energy: -126.819
flat angles P-C4'-P energy: -89.208
tors. eta vs tors. theta energy: -127.748
Dist. restrs. and SS energy: 2.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -2897.941915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2897.941915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2898.981377 (E_RNA)
where:
Base-Base interactions energy: -2033.755
where: short stacking energy: -842.307
Base-Backbone interact. energy: -5.732
local terms energy: -859.494404
where:
bonds (distance) C4'-P energy: -144.207
bonds (distance) P-C4' energy: -158.098
flat angles C4'-P-C4' energy: -180.261
flat angles P-C4'-P energy: -129.302
tors. eta vs tors. theta energy: -247.626
Dist. restrs. and SS energy: 1.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -2827.348230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.348230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.195488 (E_RNA)
where:
Base-Base interactions energy: -1979.711
where: short stacking energy: -791.197
Base-Backbone interact. energy: -1.932
local terms energy: -848.551824
where:
bonds (distance) C4'-P energy: -158.273
bonds (distance) P-C4' energy: -158.330
flat angles C4'-P-C4' energy: -193.178
flat angles P-C4'-P energy: -116.529
tors. eta vs tors. theta energy: -222.242
Dist. restrs. and SS energy: 2.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -2737.607001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.607001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.104598 (E_RNA)
where:
Base-Base interactions energy: -1873.180
where: short stacking energy: -777.395
Base-Backbone interact. energy: 5.483
local terms energy: -871.407647
where:
bonds (distance) C4'-P energy: -169.659
bonds (distance) P-C4' energy: -150.236
flat angles C4'-P-C4' energy: -176.921
flat angles P-C4'-P energy: -130.651
tors. eta vs tors. theta energy: -243.941
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: 3
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -2572.023543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.023543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.487270 (E_RNA)
where:
Base-Base interactions energy: -1785.184
where: short stacking energy: -727.697
Base-Backbone interact. energy: 1.639
local terms energy: -790.942745
where:
bonds (distance) C4'-P energy: -145.648
bonds (distance) P-C4' energy: -155.121
flat angles C4'-P-C4' energy: -177.020
flat angles P-C4'-P energy: -110.230
tors. eta vs tors. theta energy: -202.923
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: 5, replica: 9
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -2487.359617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.359617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.042566 (E_RNA)
where:
Base-Base interactions energy: -1698.155
where: short stacking energy: -736.553
Base-Backbone interact. energy: -0.397
local terms energy: -791.491009
where:
bonds (distance) C4'-P energy: -133.751
bonds (distance) P-C4' energy: -154.723
flat angles C4'-P-C4' energy: -176.787
flat angles P-C4'-P energy: -116.026
tors. eta vs tors. theta energy: -210.204
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: 6, replica: 6
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -2322.755162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.755162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.700924 (E_RNA)
where:
Base-Base interactions energy: -1575.627
where: short stacking energy: -652.556
Base-Backbone interact. energy: 1.872
local terms energy: -751.946133
where:
bonds (distance) C4'-P energy: -158.910
bonds (distance) P-C4' energy: -137.334
flat angles C4'-P-C4' energy: -149.716
flat angles P-C4'-P energy: -113.361
tors. eta vs tors. theta energy: -192.625
Dist. restrs. and SS energy: 2.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -2210.263424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.263424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.526351 (E_RNA)
where:
Base-Base interactions energy: -1529.095
where: short stacking energy: -616.446
Base-Backbone interact. energy: 3.646
local terms energy: -687.076954
where:
bonds (distance) C4'-P energy: -148.919
bonds (distance) P-C4' energy: -140.977
flat angles C4'-P-C4' energy: -148.261
flat angles P-C4'-P energy: -97.905
tors. eta vs tors. theta energy: -151.015
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: 8, replica: 4
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -2036.627181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.627181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.108423 (E_RNA)
where:
Base-Base interactions energy: -1416.489
where: short stacking energy: -602.393
Base-Backbone interact. energy: 3.331
local terms energy: -625.951065
where:
bonds (distance) C4'-P energy: -120.309
bonds (distance) P-C4' energy: -106.745
flat angles C4'-P-C4' energy: -160.750
flat angles P-C4'-P energy: -80.715
tors. eta vs tors. theta energy: -157.432
Dist. restrs. and SS energy: 2.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -1895.806295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.806295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.220444 (E_RNA)
where:
Base-Base interactions energy: -1276.658
where: short stacking energy: -557.922
Base-Backbone interact. energy: -2.287
local terms energy: -622.275713
where:
bonds (distance) C4'-P energy: -129.679
bonds (distance) P-C4' energy: -114.977
flat angles C4'-P-C4' energy: -153.334
flat angles P-C4'-P energy: -90.748
tors. eta vs tors. theta energy: -133.539
Dist. restrs. and SS energy: 5.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -1864.984666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.984666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.685911 (E_RNA)
where:
Base-Base interactions energy: -1221.604
where: short stacking energy: -528.073
Base-Backbone interact. energy: 1.180
local terms energy: -649.261950
where:
bonds (distance) C4'-P energy: -123.987
bonds (distance) P-C4' energy: -145.707
flat angles C4'-P-C4' energy: -135.754
flat angles P-C4'-P energy: -107.879
tors. eta vs tors. theta energy: -135.935
Dist. restrs. and SS energy: 4.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -2930.591755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2930.591755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2931.621286 (E_RNA)
where:
Base-Base interactions energy: -2033.071
where: short stacking energy: -868.161
Base-Backbone interact. energy: -3.242
local terms energy: -895.307558
where:
bonds (distance) C4'-P energy: -155.563
bonds (distance) P-C4' energy: -149.602
flat angles C4'-P-C4' energy: -197.073
flat angles P-C4'-P energy: -131.394
tors. eta vs tors. theta energy: -261.676
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: 2, replica: 10
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -2815.769730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.769730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.628217 (E_RNA)
where:
Base-Base interactions energy: -1943.972
where: short stacking energy: -794.738
Base-Backbone interact. energy: -0.784
local terms energy: -871.872637
where:
bonds (distance) C4'-P energy: -155.614
bonds (distance) P-C4' energy: -161.303
flat angles C4'-P-C4' energy: -186.794
flat angles P-C4'-P energy: -132.130
tors. eta vs tors. theta energy: -236.032
Dist. restrs. and SS energy: 0.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -2724.258916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.258916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.906652 (E_RNA)
where:
Base-Base interactions energy: -1879.536
where: short stacking energy: -807.202
Base-Backbone interact. energy: 0.234
local terms energy: -846.604553
where:
bonds (distance) C4'-P energy: -151.565
bonds (distance) P-C4' energy: -160.668
flat angles C4'-P-C4' energy: -177.048
flat angles P-C4'-P energy: -127.572
tors. eta vs tors. theta energy: -229.752
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: 4, replica: 3
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -2594.290551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.290551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.904903 (E_RNA)
where:
Base-Base interactions energy: -1814.903
where: short stacking energy: -748.031
Base-Backbone interact. energy: 10.318
local terms energy: -791.320345
where:
bonds (distance) C4'-P energy: -140.193
bonds (distance) P-C4' energy: -155.661
flat angles C4'-P-C4' energy: -177.547
flat angles P-C4'-P energy: -103.899
tors. eta vs tors. theta energy: -214.021
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: 5, replica: 9
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -2499.165590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.165590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.246881 (E_RNA)
where:
Base-Base interactions energy: -1725.323
where: short stacking energy: -736.565
Base-Backbone interact. energy: 0.988
local terms energy: -776.911644
where:
bonds (distance) C4'-P energy: -127.741
bonds (distance) P-C4' energy: -162.955
flat angles C4'-P-C4' energy: -167.028
flat angles P-C4'-P energy: -114.833
tors. eta vs tors. theta energy: -204.355
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: 6, replica: 6
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -2291.719349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.719349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.296598 (E_RNA)
where:
Base-Base interactions energy: -1565.564
where: short stacking energy: -665.556
Base-Backbone interact. energy: -0.007
local terms energy: -728.724807
where:
bonds (distance) C4'-P energy: -147.705
bonds (distance) P-C4' energy: -137.501
flat angles C4'-P-C4' energy: -167.077
flat angles P-C4'-P energy: -100.634
tors. eta vs tors. theta energy: -175.807
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: 7, replica: 1
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -2218.802976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.802976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.166410 (E_RNA)
where:
Base-Base interactions energy: -1542.750
where: short stacking energy: -639.703
Base-Backbone interact. energy: -1.560
local terms energy: -676.856888
where:
bonds (distance) C4'-P energy: -141.759
bonds (distance) P-C4' energy: -133.780
flat angles C4'-P-C4' energy: -148.966
flat angles P-C4'-P energy: -86.162
tors. eta vs tors. theta energy: -166.190
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: 8, replica: 4
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -2009.426839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.426839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.803725 (E_RNA)
where:
Base-Base interactions energy: -1360.091
where: short stacking energy: -594.498
Base-Backbone interact. energy: 1.185
local terms energy: -653.898290
where:
bonds (distance) C4'-P energy: -111.520
bonds (distance) P-C4' energy: -141.807
flat angles C4'-P-C4' energy: -138.581
flat angles P-C4'-P energy: -103.744
tors. eta vs tors. theta energy: -158.246
Dist. restrs. and SS energy: 3.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -1882.743604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.743604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.455942 (E_RNA)
where:
Base-Base interactions energy: -1288.619
where: short stacking energy: -519.945
Base-Backbone interact. energy: -3.718
local terms energy: -593.119888
where:
bonds (distance) C4'-P energy: -120.610
bonds (distance) P-C4' energy: -129.746
flat angles C4'-P-C4' energy: -115.908
flat angles P-C4'-P energy: -99.089
tors. eta vs tors. theta energy: -127.767
Dist. restrs. and SS energy: 2.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -1885.488524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.488524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.593247 (E_RNA)
where:
Base-Base interactions energy: -1305.237
where: short stacking energy: -563.086
Base-Backbone interact. energy: 5.146
local terms energy: -589.502659
where:
bonds (distance) C4'-P energy: -126.747
bonds (distance) P-C4' energy: -138.726
flat angles C4'-P-C4' energy: -127.549
flat angles P-C4'-P energy: -71.217
tors. eta vs tors. theta energy: -125.263
Dist. restrs. and SS energy: 4.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -2902.652763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2902.652763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2903.743188 (E_RNA)
where:
Base-Base interactions energy: -2034.302
where: short stacking energy: -874.647
Base-Backbone interact. energy: -4.034
local terms energy: -865.406671
where:
bonds (distance) C4'-P energy: -150.605
bonds (distance) P-C4' energy: -168.098
flat angles C4'-P-C4' energy: -181.591
flat angles P-C4'-P energy: -119.437
tors. eta vs tors. theta energy: -245.675
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: 2, replica: 10
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -2817.083449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.083449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.593571 (E_RNA)
where:
Base-Base interactions energy: -1931.809
where: short stacking energy: -838.819
Base-Backbone interact. energy: -6.284
local terms energy: -880.501378
where:
bonds (distance) C4'-P energy: -146.493
bonds (distance) P-C4' energy: -176.951
flat angles C4'-P-C4' energy: -185.366
flat angles P-C4'-P energy: -132.106
tors. eta vs tors. theta energy: -239.586
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: 3, replica: 2
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -2745.645821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.645821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.495360 (E_RNA)
where:
Base-Base interactions energy: -1933.100
where: short stacking energy: -792.586
Base-Backbone interact. energy: -0.726
local terms energy: -813.669988
where:
bonds (distance) C4'-P energy: -167.375
bonds (distance) P-C4' energy: -134.901
flat angles C4'-P-C4' energy: -170.452
flat angles P-C4'-P energy: -115.798
tors. eta vs tors. theta energy: -225.144
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: 4, replica: 9
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -2605.144784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.144784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.235005 (E_RNA)
where:
Base-Base interactions energy: -1812.324
where: short stacking energy: -752.724
Base-Backbone interact. energy: 0.499
local terms energy: -794.409979
where:
bonds (distance) C4'-P energy: -164.699
bonds (distance) P-C4' energy: -155.611
flat angles C4'-P-C4' energy: -153.415
flat angles P-C4'-P energy: -101.132
tors. eta vs tors. theta energy: -219.553
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: 5, replica: 3
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -2532.976012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.976012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.902334 (E_RNA)
where:
Base-Base interactions energy: -1782.338
where: short stacking energy: -728.916
Base-Backbone interact. energy: 2.033
local terms energy: -754.597089
where:
bonds (distance) C4'-P energy: -140.786
bonds (distance) P-C4' energy: -146.729
flat angles C4'-P-C4' energy: -162.746
flat angles P-C4'-P energy: -109.080
tors. eta vs tors. theta energy: -195.257
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: 6, replica: 6
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -2254.973452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.973452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.702390 (E_RNA)
where:
Base-Base interactions energy: -1566.012
where: short stacking energy: -653.865
Base-Backbone interact. energy: 6.433
local terms energy: -698.123778
where:
bonds (distance) C4'-P energy: -141.511
bonds (distance) P-C4' energy: -142.946
flat angles C4'-P-C4' energy: -145.188
flat angles P-C4'-P energy: -90.693
tors. eta vs tors. theta energy: -177.786
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: 7, replica: 1
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -2158.286331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.286331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.993906 (E_RNA)
where:
Base-Base interactions energy: -1480.929
where: short stacking energy: -612.011
Base-Backbone interact. energy: -0.026
local terms energy: -680.038540
where:
bonds (distance) C4'-P energy: -140.151
bonds (distance) P-C4' energy: -138.881
flat angles C4'-P-C4' energy: -150.235
flat angles P-C4'-P energy: -102.528
tors. eta vs tors. theta energy: -148.243
Dist. restrs. and SS energy: 2.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -1962.358526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.358526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.808375 (E_RNA)
where:
Base-Base interactions energy: -1327.623
where: short stacking energy: -553.408
Base-Backbone interact. energy: 3.671
local terms energy: -640.856323
where:
bonds (distance) C4'-P energy: -131.780
bonds (distance) P-C4' energy: -137.243
flat angles C4'-P-C4' energy: -130.049
flat angles P-C4'-P energy: -110.862
tors. eta vs tors. theta energy: -130.923
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: 5
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -1881.015331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.015331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.131150 (E_RNA)
where:
Base-Base interactions energy: -1278.209
where: short stacking energy: -540.125
Base-Backbone interact. energy: 4.604
local terms energy: -611.526226
where:
bonds (distance) C4'-P energy: -125.935
bonds (distance) P-C4' energy: -125.117
flat angles C4'-P-C4' energy: -148.432
flat angles P-C4'-P energy: -85.390
tors. eta vs tors. theta energy: -126.652
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: 8
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -1850.293550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.293550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.079337 (E_RNA)
where:
Base-Base interactions energy: -1205.611
where: short stacking energy: -488.227
Base-Backbone interact. energy: 3.662
local terms energy: -652.130291
where:
bonds (distance) C4'-P energy: -139.591
bonds (distance) P-C4' energy: -147.193
flat angles C4'-P-C4' energy: -137.748
flat angles P-C4'-P energy: -96.007
tors. eta vs tors. theta energy: -131.591
Dist. restrs. and SS energy: 3.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -2923.296538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2923.296538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2925.134525 (E_RNA)
where:
Base-Base interactions energy: -2052.818
where: short stacking energy: -844.244
Base-Backbone interact. energy: -3.748
local terms energy: -868.568972
where:
bonds (distance) C4'-P energy: -156.945
bonds (distance) P-C4' energy: -157.940
flat angles C4'-P-C4' energy: -184.429
flat angles P-C4'-P energy: -126.295
tors. eta vs tors. theta energy: -242.960
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: 10
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -2791.122305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.122305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.392075 (E_RNA)
where:
Base-Base interactions energy: -1939.008
where: short stacking energy: -825.863
Base-Backbone interact. energy: -2.887
local terms energy: -851.497185
where:
bonds (distance) C4'-P energy: -162.756
bonds (distance) P-C4' energy: -151.471
flat angles C4'-P-C4' energy: -176.787
flat angles P-C4'-P energy: -115.047
tors. eta vs tors. theta energy: -245.435
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: 2
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -2713.188875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.188875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.135969 (E_RNA)
where:
Base-Base interactions energy: -1909.273
where: short stacking energy: -802.092
Base-Backbone interact. energy: 2.263
local terms energy: -808.125704
where:
bonds (distance) C4'-P energy: -149.947
bonds (distance) P-C4' energy: -132.161
flat angles C4'-P-C4' energy: -177.754
flat angles P-C4'-P energy: -123.345
tors. eta vs tors. theta energy: -224.919
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: 4, replica: 9
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -2574.764753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.764753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.860073 (E_RNA)
where:
Base-Base interactions energy: -1779.984
where: short stacking energy: -727.755
Base-Backbone interact. energy: -3.210
local terms energy: -792.665659
where:
bonds (distance) C4'-P energy: -140.440
bonds (distance) P-C4' energy: -156.020
flat angles C4'-P-C4' energy: -168.169
flat angles P-C4'-P energy: -111.692
tors. eta vs tors. theta energy: -216.344
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: 5, replica: 3
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -2521.617310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.617310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.910372 (E_RNA)
where:
Base-Base interactions energy: -1716.279
where: short stacking energy: -720.543
Base-Backbone interact. energy: 3.174
local terms energy: -811.805157
where:
bonds (distance) C4'-P energy: -149.711
bonds (distance) P-C4' energy: -152.152
flat angles C4'-P-C4' energy: -183.360
flat angles P-C4'-P energy: -103.147
tors. eta vs tors. theta energy: -223.435
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: 6, replica: 6
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -2338.758384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.758384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.970726 (E_RNA)
where:
Base-Base interactions energy: -1603.982
where: short stacking energy: -668.957
Base-Backbone interact. energy: 3.467
local terms energy: -739.455835
where:
bonds (distance) C4'-P energy: -134.997
bonds (distance) P-C4' energy: -136.554
flat angles C4'-P-C4' energy: -164.562
flat angles P-C4'-P energy: -114.370
tors. eta vs tors. theta energy: -188.972
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: 7, replica: 1
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -2140.020301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.020301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.334754 (E_RNA)
where:
Base-Base interactions energy: -1472.517
where: short stacking energy: -612.771
Base-Backbone interact. energy: -0.771
local terms energy: -669.046633
where:
bonds (distance) C4'-P energy: -130.362
bonds (distance) P-C4' energy: -145.232
flat angles C4'-P-C4' energy: -130.782
flat angles P-C4'-P energy: -84.111
tors. eta vs tors. theta energy: -178.560
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: 8, replica: 4
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -2029.817747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.817747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.633272 (E_RNA)
where:
Base-Base interactions energy: -1384.551
where: short stacking energy: -570.661
Base-Backbone interact. energy: 4.269
local terms energy: -651.352002
where:
bonds (distance) C4'-P energy: -130.663
bonds (distance) P-C4' energy: -134.181
flat angles C4'-P-C4' energy: -144.296
flat angles P-C4'-P energy: -97.923
tors. eta vs tors. theta energy: -144.289
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: 9, replica: 8
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -1932.076582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.076582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.985290 (E_RNA)
where:
Base-Base interactions energy: -1283.333
where: short stacking energy: -549.783
Base-Backbone interact. energy: 4.947
local terms energy: -657.599348
where:
bonds (distance) C4'-P energy: -131.016
bonds (distance) P-C4' energy: -133.934
flat angles C4'-P-C4' energy: -151.697
flat angles P-C4'-P energy: -100.049
tors. eta vs tors. theta energy: -140.903
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: 5
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -1783.803998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.803998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.208942 (E_RNA)
where:
Base-Base interactions energy: -1233.654
where: short stacking energy: -506.847
Base-Backbone interact. energy: -3.373
local terms energy: -554.181731
where:
bonds (distance) C4'-P energy: -134.482
bonds (distance) P-C4' energy: -131.953
flat angles C4'-P-C4' energy: -123.145
flat angles P-C4'-P energy: -55.735
tors. eta vs tors. theta energy: -108.867
Dist. restrs. and SS energy: 7.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -2961.166189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2961.166189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2962.158474 (E_RNA)
where:
Base-Base interactions energy: -2095.725
where: short stacking energy: -844.780
Base-Backbone interact. energy: -5.122
local terms energy: -861.311157
where:
bonds (distance) C4'-P energy: -141.100
bonds (distance) P-C4' energy: -170.207
flat angles C4'-P-C4' energy: -189.434
flat angles P-C4'-P energy: -118.203
tors. eta vs tors. theta energy: -242.368
Dist. restrs. and SS energy: 0.992 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -2782.375832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.375832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.588797 (E_RNA)
where:
Base-Base interactions energy: -1927.896
where: short stacking energy: -804.745
Base-Backbone interact. energy: -0.101
local terms energy: -856.591411
where:
bonds (distance) C4'-P energy: -156.585
bonds (distance) P-C4' energy: -166.029
flat angles C4'-P-C4' energy: -176.799
flat angles P-C4'-P energy: -113.675
tors. eta vs tors. theta energy: -243.504
Dist. restrs. and SS energy: 2.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -2703.383525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.383525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.614321 (E_RNA)
where:
Base-Base interactions energy: -1883.363
where: short stacking energy: -778.355
Base-Backbone interact. energy: -3.182
local terms energy: -819.069836
where:
bonds (distance) C4'-P energy: -148.321
bonds (distance) P-C4' energy: -167.034
flat angles C4'-P-C4' energy: -176.725
flat angles P-C4'-P energy: -104.727
tors. eta vs tors. theta energy: -222.264
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: 4, replica: 9
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -2555.035030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.035030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.978839 (E_RNA)
where:
Base-Base interactions energy: -1739.305
where: short stacking energy: -705.115
Base-Backbone interact. energy: -3.465
local terms energy: -814.208761
where:
bonds (distance) C4'-P energy: -140.252
bonds (distance) P-C4' energy: -178.943
flat angles C4'-P-C4' energy: -167.079
flat angles P-C4'-P energy: -125.156
tors. eta vs tors. theta energy: -202.779
Dist. restrs. and SS energy: 1.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -2507.423294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.423294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.056373 (E_RNA)
where:
Base-Base interactions energy: -1726.649
where: short stacking energy: -736.885
Base-Backbone interact. energy: 3.553
local terms energy: -785.959474
where:
bonds (distance) C4'-P energy: -140.959
bonds (distance) P-C4' energy: -142.024
flat angles C4'-P-C4' energy: -167.344
flat angles P-C4'-P energy: -117.020
tors. eta vs tors. theta energy: -218.613
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: 6, replica: 6
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -2333.630786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.630786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.506972 (E_RNA)
where:
Base-Base interactions energy: -1630.820
where: short stacking energy: -677.816
Base-Backbone interact. energy: -3.318
local terms energy: -701.369008
where:
bonds (distance) C4'-P energy: -129.641
bonds (distance) P-C4' energy: -132.793
flat angles C4'-P-C4' energy: -158.300
flat angles P-C4'-P energy: -96.748
tors. eta vs tors. theta energy: -183.887
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: 7, replica: 1
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -2191.971765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.971765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.576177 (E_RNA)
where:
Base-Base interactions energy: -1513.416
where: short stacking energy: -629.005
Base-Backbone interact. energy: 1.840
local terms energy: -683.000800
where:
bonds (distance) C4'-P energy: -144.444
bonds (distance) P-C4' energy: -125.770
flat angles C4'-P-C4' energy: -146.296
flat angles P-C4'-P energy: -80.434
tors. eta vs tors. theta energy: -186.057
Dist. restrs. and SS energy: 2.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -2045.362840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.362840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.771289 (E_RNA)
where:
Base-Base interactions energy: -1358.673
where: short stacking energy: -590.716
Base-Backbone interact. energy: 0.528
local terms energy: -689.626837
where:
bonds (distance) C4'-P energy: -147.603
bonds (distance) P-C4' energy: -115.416
flat angles C4'-P-C4' energy: -151.948
flat angles P-C4'-P energy: -103.608
tors. eta vs tors. theta energy: -171.051
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: 9, replica: 8
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -1944.675570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.675570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.751109 (E_RNA)
where:
Base-Base interactions energy: -1311.324
where: short stacking energy: -541.666
Base-Backbone interact. energy: 6.925
local terms energy: -644.352429
where:
bonds (distance) C4'-P energy: -130.815
bonds (distance) P-C4' energy: -132.974
flat angles C4'-P-C4' energy: -157.077
flat angles P-C4'-P energy: -92.121
tors. eta vs tors. theta energy: -131.365
Dist. restrs. and SS energy: 4.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -1841.005594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.005594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.740979 (E_RNA)
where:
Base-Base interactions energy: -1242.243
where: short stacking energy: -523.653
Base-Backbone interact. energy: 5.458
local terms energy: -607.956253
where:
bonds (distance) C4'-P energy: -132.472
bonds (distance) P-C4' energy: -122.378
flat angles C4'-P-C4' energy: -142.103
flat angles P-C4'-P energy: -70.886
tors. eta vs tors. theta energy: -140.117
Dist. restrs. and SS energy: 3.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -2947.281888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2947.281888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2949.045294 (E_RNA)
where:
Base-Base interactions energy: -2058.336
where: short stacking energy: -820.558
Base-Backbone interact. energy: -4.620
local terms energy: -886.089796
where:
bonds (distance) C4'-P energy: -147.765
bonds (distance) P-C4' energy: -169.235
flat angles C4'-P-C4' energy: -191.441
flat angles P-C4'-P energy: -132.087
tors. eta vs tors. theta energy: -245.562
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: 2, replica: 10
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -2800.690673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.690673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.393117 (E_RNA)
where:
Base-Base interactions energy: -1961.249
where: short stacking energy: -815.365
Base-Backbone interact. energy: 6.273
local terms energy: -847.416732
where:
bonds (distance) C4'-P energy: -138.613
bonds (distance) P-C4' energy: -150.374
flat angles C4'-P-C4' energy: -196.513
flat angles P-C4'-P energy: -124.907
tors. eta vs tors. theta energy: -237.009
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: 3, replica: 2
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -2703.175535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.175535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.782714 (E_RNA)
where:
Base-Base interactions energy: -1893.463
where: short stacking energy: -775.343
Base-Backbone interact. energy: 0.029
local terms energy: -811.348547
where:
bonds (distance) C4'-P energy: -151.812
bonds (distance) P-C4' energy: -140.406
flat angles C4'-P-C4' energy: -176.634
flat angles P-C4'-P energy: -118.175
tors. eta vs tors. theta energy: -224.321
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: 4, replica: 9
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -2560.090925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.090925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.943323 (E_RNA)
where:
Base-Base interactions energy: -1798.984
where: short stacking energy: -750.579
Base-Backbone interact. energy: -1.634
local terms energy: -761.325687
where:
bonds (distance) C4'-P energy: -128.267
bonds (distance) P-C4' energy: -146.542
flat angles C4'-P-C4' energy: -176.273
flat angles P-C4'-P energy: -103.857
tors. eta vs tors. theta energy: -206.386
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: 3
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -2467.715589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.715589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.222836 (E_RNA)
where:
Base-Base interactions energy: -1706.132
where: short stacking energy: -724.130
Base-Backbone interact. energy: 5.515
local terms energy: -770.605793
where:
bonds (distance) C4'-P energy: -146.040
bonds (distance) P-C4' energy: -143.004
flat angles C4'-P-C4' energy: -175.184
flat angles P-C4'-P energy: -98.119
tors. eta vs tors. theta energy: -208.259
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: 6, replica: 6
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -2286.895165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.895165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.226654 (E_RNA)
where:
Base-Base interactions energy: -1586.258
where: short stacking energy: -676.134
Base-Backbone interact. energy: -3.764
local terms energy: -701.204444
where:
bonds (distance) C4'-P energy: -131.769
bonds (distance) P-C4' energy: -134.553
flat angles C4'-P-C4' energy: -164.637
flat angles P-C4'-P energy: -105.902
tors. eta vs tors. theta energy: -164.344
Dist. restrs. and SS energy: 4.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -2178.469228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.469228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.141989 (E_RNA)
where:
Base-Base interactions energy: -1529.222
where: short stacking energy: -619.855
Base-Backbone interact. energy: -1.291
local terms energy: -649.628429
where:
bonds (distance) C4'-P energy: -115.204
bonds (distance) P-C4' energy: -135.149
flat angles C4'-P-C4' energy: -133.932
flat angles P-C4'-P energy: -108.217
tors. eta vs tors. theta energy: -157.125
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: 8, replica: 4
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -2070.716963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.716963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.035110 (E_RNA)
where:
Base-Base interactions energy: -1388.308
where: short stacking energy: -590.160
Base-Backbone interact. energy: 0.010
local terms energy: -684.736153
where:
bonds (distance) C4'-P energy: -133.627
bonds (distance) P-C4' energy: -140.923
flat angles C4'-P-C4' energy: -157.049
flat angles P-C4'-P energy: -94.910
tors. eta vs tors. theta energy: -158.227
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: 9, replica: 8
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -1994.973224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.973224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.607968 (E_RNA)
where:
Base-Base interactions energy: -1375.305
where: short stacking energy: -608.454
Base-Backbone interact. energy: 7.866
local terms energy: -630.169107
where:
bonds (distance) C4'-P energy: -131.360
bonds (distance) P-C4' energy: -127.520
flat angles C4'-P-C4' energy: -145.255
flat angles P-C4'-P energy: -74.566
tors. eta vs tors. theta energy: -151.468
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: 10, replica: 5
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -1880.328910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.328910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.827228 (E_RNA)
where:
Base-Base interactions energy: -1285.261
where: short stacking energy: -556.577
Base-Backbone interact. energy: 1.775
local terms energy: -601.340430
where:
bonds (distance) C4'-P energy: -109.805
bonds (distance) P-C4' energy: -118.045
flat angles C4'-P-C4' energy: -142.618
flat angles P-C4'-P energy: -90.159
tors. eta vs tors. theta energy: -140.714
Dist. restrs. and SS energy: 4.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -2956.563985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2956.563985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2958.147902 (E_RNA)
where:
Base-Base interactions energy: -2064.003
where: short stacking energy: -850.866
Base-Backbone interact. energy: -6.761
local terms energy: -887.383713
where:
bonds (distance) C4'-P energy: -148.447
bonds (distance) P-C4' energy: -162.865
flat angles C4'-P-C4' energy: -185.021
flat angles P-C4'-P energy: -139.406
tors. eta vs tors. theta energy: -251.645
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: 2, replica: 10
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -2759.486628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.486628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.184343 (E_RNA)
where:
Base-Base interactions energy: -1902.461
where: short stacking energy: -809.328
Base-Backbone interact. energy: 3.572
local terms energy: -862.294943
where:
bonds (distance) C4'-P energy: -165.748
bonds (distance) P-C4' energy: -153.393
flat angles C4'-P-C4' energy: -182.664
flat angles P-C4'-P energy: -133.166
tors. eta vs tors. theta energy: -227.323
Dist. restrs. and SS energy: 1.698 (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: 2
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -2715.215646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.215646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.347200 (E_RNA)
where:
Base-Base interactions energy: -1888.153
where: short stacking energy: -793.339
Base-Backbone interact. energy: 4.959
local terms energy: -834.153443
where:
bonds (distance) C4'-P energy: -153.431
bonds (distance) P-C4' energy: -169.088
flat angles C4'-P-C4' energy: -167.479
flat angles P-C4'-P energy: -120.776
tors. eta vs tors. theta energy: -223.380
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: 4, replica: 9
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -2530.669771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.669771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.513584 (E_RNA)
where:
Base-Base interactions energy: -1770.289
where: short stacking energy: -733.501
Base-Backbone interact. energy: 2.249
local terms energy: -764.473703
where:
bonds (distance) C4'-P energy: -134.254
bonds (distance) P-C4' energy: -139.713
flat angles C4'-P-C4' energy: -168.036
flat angles P-C4'-P energy: -111.090
tors. eta vs tors. theta energy: -211.380
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: 5, replica: 3
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -2496.541948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.541948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.434947 (E_RNA)
where:
Base-Base interactions energy: -1673.103
where: short stacking energy: -691.424
Base-Backbone interact. energy: -2.556
local terms energy: -822.775292
where:
bonds (distance) C4'-P energy: -150.694
bonds (distance) P-C4' energy: -172.338
flat angles C4'-P-C4' energy: -166.813
flat angles P-C4'-P energy: -125.797
tors. eta vs tors. theta energy: -207.133
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: 1
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -2258.404643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.404643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.509564 (E_RNA)
where:
Base-Base interactions energy: -1542.082
where: short stacking energy: -669.096
Base-Backbone interact. energy: 1.316
local terms energy: -719.743532
where:
bonds (distance) C4'-P energy: -135.190
bonds (distance) P-C4' energy: -156.020
flat angles C4'-P-C4' energy: -150.379
flat angles P-C4'-P energy: -95.990
tors. eta vs tors. theta energy: -182.165
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: 7, replica: 6
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -2258.105517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.105517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.901952 (E_RNA)
where:
Base-Base interactions energy: -1546.000
where: short stacking energy: -669.560
Base-Backbone interact. energy: -2.629
local terms energy: -713.272913
where:
bonds (distance) C4'-P energy: -119.118
bonds (distance) P-C4' energy: -135.690
flat angles C4'-P-C4' energy: -169.661
flat angles P-C4'-P energy: -100.989
tors. eta vs tors. theta energy: -187.815
Dist. restrs. and SS energy: 3.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -1983.655947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.655947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.852217 (E_RNA)
where:
Base-Base interactions energy: -1329.148
where: short stacking energy: -526.589
Base-Backbone interact. energy: -1.112
local terms energy: -656.591809
where:
bonds (distance) C4'-P energy: -126.918
bonds (distance) P-C4' energy: -135.594
flat angles C4'-P-C4' energy: -130.403
flat angles P-C4'-P energy: -98.126
tors. eta vs tors. theta energy: -165.551
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: 4
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -1909.892223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.892223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.476471 (E_RNA)
where:
Base-Base interactions energy: -1293.044
where: short stacking energy: -523.758
Base-Backbone interact. energy: 5.064
local terms energy: -624.497271
where:
bonds (distance) C4'-P energy: -126.030
bonds (distance) P-C4' energy: -133.161
flat angles C4'-P-C4' energy: -144.463
flat angles P-C4'-P energy: -92.701
tors. eta vs tors. theta energy: -128.142
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: 10, replica: 5
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -1899.357153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.357153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.114521 (E_RNA)
where:
Base-Base interactions energy: -1281.284
where: short stacking energy: -532.503
Base-Backbone interact. energy: 0.118
local terms energy: -620.948366
where:
bonds (distance) C4'-P energy: -125.362
bonds (distance) P-C4' energy: -139.526
flat angles C4'-P-C4' energy: -130.740
flat angles P-C4'-P energy: -79.559
tors. eta vs tors. theta energy: -145.762
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: 1, replica: 7
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -2965.993984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2965.993984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2966.859931 (E_RNA)
where:
Base-Base interactions energy: -2079.933
where: short stacking energy: -848.086
Base-Backbone interact. energy: -0.359
local terms energy: -886.567066
where:
bonds (distance) C4'-P energy: -177.404
bonds (distance) P-C4' energy: -171.260
flat angles C4'-P-C4' energy: -171.561
flat angles P-C4'-P energy: -126.397
tors. eta vs tors. theta energy: -239.945
Dist. restrs. and SS energy: 0.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -2777.132995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.132995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.976397 (E_RNA)
where:
Base-Base interactions energy: -1920.597
where: short stacking energy: -801.664
Base-Backbone interact. energy: -5.035
local terms energy: -852.344525
where:
bonds (distance) C4'-P energy: -151.737
bonds (distance) P-C4' energy: -140.922
flat angles C4'-P-C4' energy: -183.901
flat angles P-C4'-P energy: -136.888
tors. eta vs tors. theta energy: -238.895
Dist. restrs. and SS energy: 0.843 (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: 2
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -2712.264601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.264601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.103134 (E_RNA)
where:
Base-Base interactions energy: -1888.721
where: short stacking energy: -796.043
Base-Backbone interact. energy: -3.705
local terms energy: -821.677643
where:
bonds (distance) C4'-P energy: -155.836
bonds (distance) P-C4' energy: -127.754
flat angles C4'-P-C4' energy: -183.136
flat angles P-C4'-P energy: -113.137
tors. eta vs tors. theta energy: -241.815
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: 4, replica: 9
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -2554.367580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.367580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.320834 (E_RNA)
where:
Base-Base interactions energy: -1802.833
where: short stacking energy: -742.589
Base-Backbone interact. energy: 3.921
local terms energy: -757.409361
where:
bonds (distance) C4'-P energy: -128.122
bonds (distance) P-C4' energy: -138.566
flat angles C4'-P-C4' energy: -169.875
flat angles P-C4'-P energy: -101.550
tors. eta vs tors. theta energy: -219.297
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: 5, replica: 3
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -2461.649988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.649988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.558932 (E_RNA)
where:
Base-Base interactions energy: -1681.412
where: short stacking energy: -704.524
Base-Backbone interact. energy: -1.657
local terms energy: -780.490152
where:
bonds (distance) C4'-P energy: -124.292
bonds (distance) P-C4' energy: -166.612
flat angles C4'-P-C4' energy: -181.309
flat angles P-C4'-P energy: -104.211
tors. eta vs tors. theta energy: -204.065
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: 6, replica: 1
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -2272.550561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.550561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.940642 (E_RNA)
where:
Base-Base interactions energy: -1545.680
where: short stacking energy: -643.678
Base-Backbone interact. energy: -1.130
local terms energy: -729.130709
where:
bonds (distance) C4'-P energy: -131.329
bonds (distance) P-C4' energy: -141.946
flat angles C4'-P-C4' energy: -168.777
flat angles P-C4'-P energy: -105.563
tors. eta vs tors. theta energy: -181.516
Dist. restrs. and SS energy: 3.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -2237.368394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.368394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.137902 (E_RNA)
where:
Base-Base interactions energy: -1530.241
where: short stacking energy: -646.924
Base-Backbone interact. energy: 4.059
local terms energy: -712.955573
where:
bonds (distance) C4'-P energy: -116.076
bonds (distance) P-C4' energy: -135.047
flat angles C4'-P-C4' energy: -165.425
flat angles P-C4'-P energy: -111.771
tors. eta vs tors. theta energy: -184.637
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: 8
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -2040.689249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.689249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.383599 (E_RNA)
where:
Base-Base interactions energy: -1378.348
where: short stacking energy: -617.744
Base-Backbone interact. energy: 2.031
local terms energy: -671.066887
where:
bonds (distance) C4'-P energy: -148.321
bonds (distance) P-C4' energy: -138.296
flat angles C4'-P-C4' energy: -146.359
flat angles P-C4'-P energy: -91.631
tors. eta vs tors. theta energy: -146.460
Dist. restrs. and SS energy: 6.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -1927.450616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.450616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.267953 (E_RNA)
where:
Base-Base interactions energy: -1324.366
where: short stacking energy: -546.445
Base-Backbone interact. energy: -2.870
local terms energy: -603.032097
where:
bonds (distance) C4'-P energy: -138.699
bonds (distance) P-C4' energy: -124.233
flat angles C4'-P-C4' energy: -135.609
flat angles P-C4'-P energy: -67.193
tors. eta vs tors. theta energy: -137.298
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: 5
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -1887.035760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.035760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.788638 (E_RNA)
where:
Base-Base interactions energy: -1272.761
where: short stacking energy: -520.674
Base-Backbone interact. energy: 1.257
local terms energy: -617.284426
where:
bonds (distance) C4'-P energy: -132.716
bonds (distance) P-C4' energy: -117.139
flat angles C4'-P-C4' energy: -143.590
flat angles P-C4'-P energy: -88.628
tors. eta vs tors. theta energy: -135.211
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: 1, replica: 7
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -2962.636484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2962.636484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2963.472179 (E_RNA)
where:
Base-Base interactions energy: -2083.170
where: short stacking energy: -836.687
Base-Backbone interact. energy: -3.994
local terms energy: -876.307959
where:
bonds (distance) C4'-P energy: -157.685
bonds (distance) P-C4' energy: -167.727
flat angles C4'-P-C4' energy: -176.414
flat angles P-C4'-P energy: -136.136
tors. eta vs tors. theta energy: -238.347
Dist. restrs. and SS energy: 0.836 (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: 10
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -2830.806986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.806986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.436719 (E_RNA)
where:
Base-Base interactions energy: -1951.714
where: short stacking energy: -806.399
Base-Backbone interact. energy: -5.787
local terms energy: -874.936078
where:
bonds (distance) C4'-P energy: -142.358
bonds (distance) P-C4' energy: -172.023
flat angles C4'-P-C4' energy: -187.819
flat angles P-C4'-P energy: -128.344
tors. eta vs tors. theta energy: -244.391
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: 2
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -2732.479769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.479769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.491522 (E_RNA)
where:
Base-Base interactions energy: -1880.389
where: short stacking energy: -795.246
Base-Backbone interact. energy: 1.875
local terms energy: -855.977769
where:
bonds (distance) C4'-P energy: -154.718
bonds (distance) P-C4' energy: -160.472
flat angles C4'-P-C4' energy: -178.577
flat angles P-C4'-P energy: -130.984
tors. eta vs tors. theta energy: -231.227
Dist. restrs. and SS energy: 2.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -2587.922354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.922354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.499845 (E_RNA)
where:
Base-Base interactions energy: -1810.222
where: short stacking energy: -786.899
Base-Backbone interact. energy: -0.473
local terms energy: -778.805402
where:
bonds (distance) C4'-P energy: -134.343
bonds (distance) P-C4' energy: -141.891
flat angles C4'-P-C4' energy: -167.687
flat angles P-C4'-P energy: -102.498
tors. eta vs tors. theta energy: -232.386
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: 5, replica: 3
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -2482.454282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.454282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.754276 (E_RNA)
where:
Base-Base interactions energy: -1737.870
where: short stacking energy: -709.477
Base-Backbone interact. energy: -0.379
local terms energy: -745.505730
where:
bonds (distance) C4'-P energy: -143.771
bonds (distance) P-C4' energy: -138.106
flat angles C4'-P-C4' energy: -170.232
flat angles P-C4'-P energy: -96.923
tors. eta vs tors. theta energy: -196.474
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: 6, replica: 1
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -2302.205335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.205335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.699702 (E_RNA)
where:
Base-Base interactions energy: -1589.536
where: short stacking energy: -666.447
Base-Backbone interact. energy: -1.039
local terms energy: -713.124260
where:
bonds (distance) C4'-P energy: -111.487
bonds (distance) P-C4' energy: -132.786
flat angles C4'-P-C4' energy: -169.491
flat angles P-C4'-P energy: -109.631
tors. eta vs tors. theta energy: -189.728
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: 7, replica: 6
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -2217.900479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.900479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.187061 (E_RNA)
where:
Base-Base interactions energy: -1521.485
where: short stacking energy: -641.628
Base-Backbone interact. energy: -3.098
local terms energy: -695.604624
where:
bonds (distance) C4'-P energy: -121.049
bonds (distance) P-C4' energy: -140.714
flat angles C4'-P-C4' energy: -172.783
flat angles P-C4'-P energy: -95.558
tors. eta vs tors. theta energy: -165.501
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: 8, replica: 8
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -2018.545890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.545890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.359393 (E_RNA)
where:
Base-Base interactions energy: -1358.246
where: short stacking energy: -588.251
Base-Backbone interact. energy: -0.915
local terms energy: -663.198380
where:
bonds (distance) C4'-P energy: -121.386
bonds (distance) P-C4' energy: -136.132
flat angles C4'-P-C4' energy: -135.603
flat angles P-C4'-P energy: -97.661
tors. eta vs tors. theta energy: -172.417
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: 4
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -1906.422875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.422875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.334690 (E_RNA)
where:
Base-Base interactions energy: -1294.315
where: short stacking energy: -557.049
Base-Backbone interact. energy: 3.309
local terms energy: -618.328695
where:
bonds (distance) C4'-P energy: -120.412
bonds (distance) P-C4' energy: -147.539
flat angles C4'-P-C4' energy: -153.417
flat angles P-C4'-P energy: -70.106
tors. eta vs tors. theta energy: -126.855
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: 5
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -1859.491582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.491582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.124693 (E_RNA)
where:
Base-Base interactions energy: -1289.639
where: short stacking energy: -536.525
Base-Backbone interact. energy: 1.196
local terms energy: -574.682128
where:
bonds (distance) C4'-P energy: -115.073
bonds (distance) P-C4' energy: -120.893
flat angles C4'-P-C4' energy: -128.496
flat angles P-C4'-P energy: -88.198
tors. eta vs tors. theta energy: -122.022
Dist. restrs. and SS energy: 3.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -2979.721557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2979.721557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2981.271163 (E_RNA)
where:
Base-Base interactions energy: -2092.797
where: short stacking energy: -861.398
Base-Backbone interact. energy: 2.192
local terms energy: -890.665674
where:
bonds (distance) C4'-P energy: -167.078
bonds (distance) P-C4' energy: -154.136
flat angles C4'-P-C4' energy: -193.948
flat angles P-C4'-P energy: -124.029
tors. eta vs tors. theta energy: -251.475
Dist. restrs. and SS energy: 1.550 (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: 10
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -2817.466398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.466398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.597118 (E_RNA)
where:
Base-Base interactions energy: -1944.250
where: short stacking energy: -826.769
Base-Backbone interact. energy: -2.859
local terms energy: -871.487962
where:
bonds (distance) C4'-P energy: -159.699
bonds (distance) P-C4' energy: -159.414
flat angles C4'-P-C4' energy: -177.559
flat angles P-C4'-P energy: -127.017
tors. eta vs tors. theta energy: -247.799
Dist. restrs. and SS energy: 1.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -2700.598266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.598266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.830183 (E_RNA)
where:
Base-Base interactions energy: -1877.764
where: short stacking energy: -772.685
Base-Backbone interact. energy: 1.961
local terms energy: -828.026905
where:
bonds (distance) C4'-P energy: -146.861
bonds (distance) P-C4' energy: -157.991
flat angles C4'-P-C4' energy: -179.653
flat angles P-C4'-P energy: -118.761
tors. eta vs tors. theta energy: -224.761
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: 4, replica: 9
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -2578.942885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.942885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.367228 (E_RNA)
where:
Base-Base interactions energy: -1800.088
where: short stacking energy: -754.886
Base-Backbone interact. energy: -1.210
local terms energy: -779.068866
where:
bonds (distance) C4'-P energy: -148.097
bonds (distance) P-C4' energy: -139.242
flat angles C4'-P-C4' energy: -174.202
flat angles P-C4'-P energy: -105.036
tors. eta vs tors. theta energy: -212.492
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: 5, replica: 3
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -2432.227336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.227336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.330051 (E_RNA)
where:
Base-Base interactions energy: -1665.873
where: short stacking energy: -706.597
Base-Backbone interact. energy: -4.178
local terms energy: -764.278862
where:
bonds (distance) C4'-P energy: -131.238
bonds (distance) P-C4' energy: -145.032
flat angles C4'-P-C4' energy: -172.769
flat angles P-C4'-P energy: -108.087
tors. eta vs tors. theta energy: -207.152
Dist. restrs. and SS energy: 2.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -2327.484035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.484035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.445833 (E_RNA)
where:
Base-Base interactions energy: -1605.758
where: short stacking energy: -674.817
Base-Backbone interact. energy: 0.302
local terms energy: -723.989811
where:
bonds (distance) C4'-P energy: -150.991
bonds (distance) P-C4' energy: -129.569
flat angles C4'-P-C4' energy: -162.546
flat angles P-C4'-P energy: -109.235
tors. eta vs tors. theta energy: -171.650
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: 7, replica: 6
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -2215.944084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.944084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.294701 (E_RNA)
where:
Base-Base interactions energy: -1495.489
where: short stacking energy: -616.694
Base-Backbone interact. energy: -4.876
local terms energy: -717.929346
where:
bonds (distance) C4'-P energy: -144.510
bonds (distance) P-C4' energy: -159.013
flat angles C4'-P-C4' energy: -143.537
flat angles P-C4'-P energy: -102.299
tors. eta vs tors. theta energy: -168.571
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: 8
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -2003.379733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.379733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.974392 (E_RNA)
where:
Base-Base interactions energy: -1383.949
where: short stacking energy: -557.659
Base-Backbone interact. energy: -2.837
local terms energy: -623.187915
where:
bonds (distance) C4'-P energy: -127.630
bonds (distance) P-C4' energy: -141.652
flat angles C4'-P-C4' energy: -143.917
flat angles P-C4'-P energy: -77.157
tors. eta vs tors. theta energy: -132.833
Dist. restrs. and SS energy: 6.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -1888.734501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.734501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.645335 (E_RNA)
where:
Base-Base interactions energy: -1293.241
where: short stacking energy: -570.325
Base-Backbone interact. energy: -2.091
local terms energy: -599.313395
where:
bonds (distance) C4'-P energy: -131.784
bonds (distance) P-C4' energy: -133.324
flat angles C4'-P-C4' energy: -134.954
flat angles P-C4'-P energy: -83.959
tors. eta vs tors. theta energy: -115.293
Dist. restrs. and SS energy: 5.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -1872.002555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.002555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.504288 (E_RNA)
where:
Base-Base interactions energy: -1293.662
where: short stacking energy: -549.687
Base-Backbone interact. energy: 4.334
local terms energy: -586.175784
where:
bonds (distance) C4'-P energy: -114.881
bonds (distance) P-C4' energy: -129.093
flat angles C4'-P-C4' energy: -135.535
flat angles P-C4'-P energy: -87.019
tors. eta vs tors. theta energy: -119.648
Dist. restrs. and SS energy: 3.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -2977.139225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2977.139225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2978.130775 (E_RNA)
where:
Base-Base interactions energy: -2086.473
where: short stacking energy: -841.390
Base-Backbone interact. energy: -5.479
local terms energy: -886.178984
where:
bonds (distance) C4'-P energy: -155.490
bonds (distance) P-C4' energy: -167.154
flat angles C4'-P-C4' energy: -189.314
flat angles P-C4'-P energy: -130.490
tors. eta vs tors. theta energy: -243.731
Dist. restrs. and SS energy: 0.992 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -2827.447245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.447245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2828.458807 (E_RNA)
where:
Base-Base interactions energy: -1944.529
where: short stacking energy: -829.850
Base-Backbone interact. energy: 0.839
local terms energy: -884.769638
where:
bonds (distance) C4'-P energy: -149.295
bonds (distance) P-C4' energy: -162.113
flat angles C4'-P-C4' energy: -196.948
flat angles P-C4'-P energy: -133.071
tors. eta vs tors. theta energy: -243.342
Dist. restrs. and SS energy: 1.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -2780.419175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.419175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.880327 (E_RNA)
where:
Base-Base interactions energy: -1916.993
where: short stacking energy: -808.544
Base-Backbone interact. energy: 0.576
local terms energy: -866.463151
where:
bonds (distance) C4'-P energy: -156.711
bonds (distance) P-C4' energy: -154.774
flat angles C4'-P-C4' energy: -183.800
flat angles P-C4'-P energy: -131.264
tors. eta vs tors. theta energy: -239.914
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: 4, replica: 9
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -2557.495717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.495717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.987027 (E_RNA)
where:
Base-Base interactions energy: -1766.262
where: short stacking energy: -755.022
Base-Backbone interact. energy: -1.178
local terms energy: -791.547047
where:
bonds (distance) C4'-P energy: -143.706
bonds (distance) P-C4' energy: -147.082
flat angles C4'-P-C4' energy: -175.515
flat angles P-C4'-P energy: -115.061
tors. eta vs tors. theta energy: -210.183
Dist. restrs. and SS energy: 1.491 (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: 3
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -2467.757959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.757959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.377641 (E_RNA)
where:
Base-Base interactions energy: -1684.699
where: short stacking energy: -731.053
Base-Backbone interact. energy: 1.774
local terms energy: -786.452816
where:
bonds (distance) C4'-P energy: -167.426
bonds (distance) P-C4' energy: -137.578
flat angles C4'-P-C4' energy: -165.858
flat angles P-C4'-P energy: -100.604
tors. eta vs tors. theta energy: -214.987
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: 6, replica: 1
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -2338.347695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.347695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.442339 (E_RNA)
where:
Base-Base interactions energy: -1602.714
where: short stacking energy: -694.388
Base-Backbone interact. energy: 1.671
local terms energy: -739.399645
where:
bonds (distance) C4'-P energy: -111.693
bonds (distance) P-C4' energy: -142.986
flat angles C4'-P-C4' energy: -163.740
flat angles P-C4'-P energy: -120.396
tors. eta vs tors. theta energy: -200.585
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: 6
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -2251.631436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.631436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.631453 (E_RNA)
where:
Base-Base interactions energy: -1558.913
where: short stacking energy: -659.776
Base-Backbone interact. energy: -4.963
local terms energy: -689.755204
where:
bonds (distance) C4'-P energy: -130.754
bonds (distance) P-C4' energy: -131.199
flat angles C4'-P-C4' energy: -153.024
flat angles P-C4'-P energy: -95.502
tors. eta vs tors. theta energy: -179.277
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: 8, replica: 8
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -1990.271369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.271369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.813752 (E_RNA)
where:
Base-Base interactions energy: -1343.270
where: short stacking energy: -554.519
Base-Backbone interact. energy: -2.256
local terms energy: -646.288231
where:
bonds (distance) C4'-P energy: -114.267
bonds (distance) P-C4' energy: -130.279
flat angles C4'-P-C4' energy: -152.701
flat angles P-C4'-P energy: -98.209
tors. eta vs tors. theta energy: -150.832
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: 9, replica: 5
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -1941.823001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.823001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.853209 (E_RNA)
where:
Base-Base interactions energy: -1317.123
where: short stacking energy: -555.208
Base-Backbone interact. energy: -0.854
local terms energy: -625.875390
where:
bonds (distance) C4'-P energy: -131.725
bonds (distance) P-C4' energy: -133.612
flat angles C4'-P-C4' energy: -126.999
flat angles P-C4'-P energy: -93.372
tors. eta vs tors. theta energy: -140.166
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: 10, replica: 4
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -1873.619716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.619716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.458335 (E_RNA)
where:
Base-Base interactions energy: -1263.766
where: short stacking energy: -532.938
Base-Backbone interact. energy: -1.222
local terms energy: -611.469593
where:
bonds (distance) C4'-P energy: -100.223
bonds (distance) P-C4' energy: -141.308
flat angles C4'-P-C4' energy: -147.689
flat angles P-C4'-P energy: -85.780
tors. eta vs tors. theta energy: -136.471
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: 1, replica: 7
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -2978.638665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2978.638665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2979.855864 (E_RNA)
where:
Base-Base interactions energy: -2099.756
where: short stacking energy: -845.800
Base-Backbone interact. energy: -1.906
local terms energy: -878.194478
where:
bonds (distance) C4'-P energy: -162.558
bonds (distance) P-C4' energy: -164.296
flat angles C4'-P-C4' energy: -193.690
flat angles P-C4'-P energy: -107.909
tors. eta vs tors. theta energy: -249.742
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: 2, replica: 10
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -2795.093058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.093058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.531836 (E_RNA)
where:
Base-Base interactions energy: -1919.557
where: short stacking energy: -814.024
Base-Backbone interact. energy: -3.032
local terms energy: -874.943091
where:
bonds (distance) C4'-P energy: -172.315
bonds (distance) P-C4' energy: -158.403
flat angles C4'-P-C4' energy: -189.818
flat angles P-C4'-P energy: -120.367
tors. eta vs tors. theta energy: -234.040
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: 3, replica: 2
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -2719.740195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.740195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.882527 (E_RNA)
where:
Base-Base interactions energy: -1880.364
where: short stacking energy: -781.515
Base-Backbone interact. energy: -1.626
local terms energy: -840.891649
where:
bonds (distance) C4'-P energy: -131.195
bonds (distance) P-C4' energy: -175.007
flat angles C4'-P-C4' energy: -188.823
flat angles P-C4'-P energy: -105.337
tors. eta vs tors. theta energy: -240.530
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: 4, replica: 9
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -2604.117121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.117121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.603353 (E_RNA)
where:
Base-Base interactions energy: -1806.567
where: short stacking energy: -771.530
Base-Backbone interact. energy: 4.434
local terms energy: -804.470927
where:
bonds (distance) C4'-P energy: -144.822
bonds (distance) P-C4' energy: -157.987
flat angles C4'-P-C4' energy: -183.872
flat angles P-C4'-P energy: -107.947
tors. eta vs tors. theta energy: -209.844
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: 5, replica: 3
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -2496.938114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.938114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.246195 (E_RNA)
where:
Base-Base interactions energy: -1722.260
where: short stacking energy: -714.480
Base-Backbone interact. energy: 0.913
local terms energy: -777.898570
where:
bonds (distance) C4'-P energy: -134.678
bonds (distance) P-C4' energy: -155.687
flat angles C4'-P-C4' energy: -159.169
flat angles P-C4'-P energy: -119.785
tors. eta vs tors. theta energy: -208.579
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: 6, replica: 1
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -2340.971970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.971970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.131178 (E_RNA)
where:
Base-Base interactions energy: -1607.318
where: short stacking energy: -673.616
Base-Backbone interact. energy: 3.347
local terms energy: -739.159755
where:
bonds (distance) C4'-P energy: -135.307
bonds (distance) P-C4' energy: -139.886
flat angles C4'-P-C4' energy: -163.887
flat angles P-C4'-P energy: -108.717
tors. eta vs tors. theta energy: -191.363
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: 6
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -2239.651753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.651753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.375529 (E_RNA)
where:
Base-Base interactions energy: -1521.753
where: short stacking energy: -643.307
Base-Backbone interact. energy: -0.140
local terms energy: -719.482384
where:
bonds (distance) C4'-P energy: -114.905
bonds (distance) P-C4' energy: -140.377
flat angles C4'-P-C4' energy: -168.378
flat angles P-C4'-P energy: -106.024
tors. eta vs tors. theta energy: -189.798
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: 8, replica: 8
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -2019.137205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.137205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.174880 (E_RNA)
where:
Base-Base interactions energy: -1372.700
where: short stacking energy: -589.098
Base-Backbone interact. energy: -2.965
local terms energy: -645.509513
where:
bonds (distance) C4'-P energy: -122.112
bonds (distance) P-C4' energy: -117.114
flat angles C4'-P-C4' energy: -150.439
flat angles P-C4'-P energy: -104.446
tors. eta vs tors. theta energy: -151.399
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: 9, replica: 5
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -1932.734262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.734262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.958731 (E_RNA)
where:
Base-Base interactions energy: -1296.552
where: short stacking energy: -548.981
Base-Backbone interact. energy: 0.712
local terms energy: -642.119001
where:
bonds (distance) C4'-P energy: -126.195
bonds (distance) P-C4' energy: -140.725
flat angles C4'-P-C4' energy: -153.511
flat angles P-C4'-P energy: -81.829
tors. eta vs tors. theta energy: -139.860
Dist. restrs. and SS energy: 5.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -1842.101885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.101885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.807406 (E_RNA)
where:
Base-Base interactions energy: -1235.713
where: short stacking energy: -501.392
Base-Backbone interact. energy: -2.117
local terms energy: -606.977631
where:
bonds (distance) C4'-P energy: -115.211
bonds (distance) P-C4' energy: -126.781
flat angles C4'-P-C4' energy: -140.029
flat angles P-C4'-P energy: -100.534
tors. eta vs tors. theta energy: -124.422
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: 1, replica: 7
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -2971.668773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2971.668773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2972.870016 (E_RNA)
where:
Base-Base interactions energy: -2071.908
where: short stacking energy: -826.331
Base-Backbone interact. energy: -2.159
local terms energy: -898.802574
where:
bonds (distance) C4'-P energy: -163.142
bonds (distance) P-C4' energy: -169.896
flat angles C4'-P-C4' energy: -188.327
flat angles P-C4'-P energy: -129.552
tors. eta vs tors. theta energy: -247.885
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: 2, replica: 10
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -2792.006327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.006327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.891870 (E_RNA)
where:
Base-Base interactions energy: -1936.125
where: short stacking energy: -797.666
Base-Backbone interact. energy: -0.994
local terms energy: -855.773307
where:
bonds (distance) C4'-P energy: -173.990
bonds (distance) P-C4' energy: -155.977
flat angles C4'-P-C4' energy: -178.252
flat angles P-C4'-P energy: -115.837
tors. eta vs tors. theta energy: -231.717
Dist. restrs. and SS energy: 0.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -2732.116436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.116436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.831813 (E_RNA)
where:
Base-Base interactions energy: -1887.650
where: short stacking energy: -785.553
Base-Backbone interact. energy: -0.670
local terms energy: -846.511469
where:
bonds (distance) C4'-P energy: -138.084
bonds (distance) P-C4' energy: -162.486
flat angles C4'-P-C4' energy: -179.390
flat angles P-C4'-P energy: -121.361
tors. eta vs tors. theta energy: -245.190
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: 4, replica: 9
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -2538.211844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.211844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.045486 (E_RNA)
where:
Base-Base interactions energy: -1757.332
where: short stacking energy: -706.890
Base-Backbone interact. energy: 0.911
local terms energy: -783.624274
where:
bonds (distance) C4'-P energy: -160.307
bonds (distance) P-C4' energy: -146.678
flat angles C4'-P-C4' energy: -163.753
flat angles P-C4'-P energy: -112.620
tors. eta vs tors. theta energy: -200.266
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: 5, replica: 3
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -2473.650974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.650974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.690162 (E_RNA)
where:
Base-Base interactions energy: -1717.452
where: short stacking energy: -717.541
Base-Backbone interact. energy: 0.673
local terms energy: -758.910574
where:
bonds (distance) C4'-P energy: -129.216
bonds (distance) P-C4' energy: -136.852
flat angles C4'-P-C4' energy: -174.098
flat angles P-C4'-P energy: -106.473
tors. eta vs tors. theta energy: -212.272
Dist. restrs. and SS energy: 2.039 (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: 1
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -2305.771658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.771658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.650200 (E_RNA)
where:
Base-Base interactions energy: -1587.987
where: short stacking energy: -663.585
Base-Backbone interact. energy: 1.256
local terms energy: -721.919366
where:
bonds (distance) C4'-P energy: -138.902
bonds (distance) P-C4' energy: -139.284
flat angles C4'-P-C4' energy: -169.646
flat angles P-C4'-P energy: -95.534
tors. eta vs tors. theta energy: -178.553
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: 7, replica: 6
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -2199.114355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.114355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.110372 (E_RNA)
where:
Base-Base interactions energy: -1521.635
where: short stacking energy: -617.385
Base-Backbone interact. energy: 0.662
local terms energy: -680.136986
where:
bonds (distance) C4'-P energy: -120.566
bonds (distance) P-C4' energy: -140.774
flat angles C4'-P-C4' energy: -144.601
flat angles P-C4'-P energy: -102.446
tors. eta vs tors. theta energy: -171.751
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: 8, replica: 8
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -2013.145237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.145237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.990125 (E_RNA)
where:
Base-Base interactions energy: -1325.661
where: short stacking energy: -558.049
Base-Backbone interact. energy: -2.198
local terms energy: -689.131245
where:
bonds (distance) C4'-P energy: -137.503
bonds (distance) P-C4' energy: -137.732
flat angles C4'-P-C4' energy: -154.231
flat angles P-C4'-P energy: -104.437
tors. eta vs tors. theta energy: -155.229
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: 9, replica: 5
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -1908.089376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.089376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.251797 (E_RNA)
where:
Base-Base interactions energy: -1302.143
where: short stacking energy: -541.461
Base-Backbone interact. energy: 7.577
local terms energy: -616.685960
where:
bonds (distance) C4'-P energy: -123.589
bonds (distance) P-C4' energy: -149.329
flat angles C4'-P-C4' energy: -131.629
flat angles P-C4'-P energy: -77.106
tors. eta vs tors. theta energy: -135.032
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: 4
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -1862.608862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.608862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.666988 (E_RNA)
where:
Base-Base interactions energy: -1267.407
where: short stacking energy: -519.701
Base-Backbone interact. energy: -1.137
local terms energy: -597.123072
where:
bonds (distance) C4'-P energy: -127.610
bonds (distance) P-C4' energy: -129.529
flat angles C4'-P-C4' energy: -141.992
flat angles P-C4'-P energy: -83.472
tors. eta vs tors. theta energy: -114.520
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: 1, replica: 7
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -2945.127863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2945.127863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2945.917317 (E_RNA)
where:
Base-Base interactions energy: -2077.221
where: short stacking energy: -832.951
Base-Backbone interact. energy: -0.724
local terms energy: -867.972545
where:
bonds (distance) C4'-P energy: -156.436
bonds (distance) P-C4' energy: -153.024
flat angles C4'-P-C4' energy: -189.791
flat angles P-C4'-P energy: -132.098
tors. eta vs tors. theta energy: -236.623
Dist. restrs. and SS energy: 0.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -2807.419481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.419481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.571785 (E_RNA)
where:
Base-Base interactions energy: -1960.585
where: short stacking energy: -816.219
Base-Backbone interact. energy: -3.941
local terms energy: -844.045939
where:
bonds (distance) C4'-P energy: -136.506
bonds (distance) P-C4' energy: -165.426
flat angles C4'-P-C4' energy: -183.094
flat angles P-C4'-P energy: -119.561
tors. eta vs tors. theta energy: -239.458
Dist. restrs. and SS energy: 1.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -2725.019810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.019810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.976103 (E_RNA)
where:
Base-Base interactions energy: -1908.326
where: short stacking energy: -810.024
Base-Backbone interact. energy: 4.017
local terms energy: -822.667261
where:
bonds (distance) C4'-P energy: -137.609
bonds (distance) P-C4' energy: -159.071
flat angles C4'-P-C4' energy: -169.715
flat angles P-C4'-P energy: -118.303
tors. eta vs tors. theta energy: -237.968
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: 4, replica: 9
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -2579.450872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.450872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.200596 (E_RNA)
where:
Base-Base interactions energy: -1777.608
where: short stacking energy: -720.277
Base-Backbone interact. energy: -2.165
local terms energy: -801.427222
where:
bonds (distance) C4'-P energy: -155.018
bonds (distance) P-C4' energy: -162.695
flat angles C4'-P-C4' energy: -159.795
flat angles P-C4'-P energy: -125.441
tors. eta vs tors. theta energy: -198.478
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: 3
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -2460.864997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.864997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.265409 (E_RNA)
where:
Base-Base interactions energy: -1709.586
where: short stacking energy: -725.286
Base-Backbone interact. energy: 1.093
local terms energy: -753.772715
where:
bonds (distance) C4'-P energy: -139.194
bonds (distance) P-C4' energy: -125.578
flat angles C4'-P-C4' energy: -179.550
flat angles P-C4'-P energy: -103.869
tors. eta vs tors. theta energy: -205.581
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: 6, replica: 1
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -2364.761755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.761755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.287433 (E_RNA)
where:
Base-Base interactions energy: -1605.414
where: short stacking energy: -685.627
Base-Backbone interact. energy: -3.398
local terms energy: -757.475272
where:
bonds (distance) C4'-P energy: -135.543
bonds (distance) P-C4' energy: -160.867
flat angles C4'-P-C4' energy: -168.318
flat angles P-C4'-P energy: -91.959
tors. eta vs tors. theta energy: -200.789
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: 7, replica: 6
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -2200.903343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.903343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.518966 (E_RNA)
where:
Base-Base interactions energy: -1512.508
where: short stacking energy: -661.835
Base-Backbone interact. energy: 3.744
local terms energy: -694.754859
where:
bonds (distance) C4'-P energy: -123.025
bonds (distance) P-C4' energy: -131.541
flat angles C4'-P-C4' energy: -160.824
flat angles P-C4'-P energy: -98.497
tors. eta vs tors. theta energy: -180.868
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: 8, replica: 8
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -2022.493543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.493543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.905222 (E_RNA)
where:
Base-Base interactions energy: -1375.992
where: short stacking energy: -570.780
Base-Backbone interact. energy: -0.531
local terms energy: -648.381570
where:
bonds (distance) C4'-P energy: -132.647
bonds (distance) P-C4' energy: -128.022
flat angles C4'-P-C4' energy: -132.094
flat angles P-C4'-P energy: -104.597
tors. eta vs tors. theta energy: -151.021
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: 9, replica: 4
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -1910.421574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.421574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.737287 (E_RNA)
where:
Base-Base interactions energy: -1311.214
where: short stacking energy: -544.582
Base-Backbone interact. energy: 6.768
local terms energy: -608.291349
where:
bonds (distance) C4'-P energy: -122.970
bonds (distance) P-C4' energy: -126.788
flat angles C4'-P-C4' energy: -134.123
flat angles P-C4'-P energy: -79.772
tors. eta vs tors. theta energy: -144.638
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: 10, replica: 5
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -1875.272161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.272161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.642996 (E_RNA)
where:
Base-Base interactions energy: -1267.806
where: short stacking energy: -514.030
Base-Backbone interact. energy: -0.630
local terms energy: -609.207003
where:
bonds (distance) C4'-P energy: -133.928
bonds (distance) P-C4' energy: -135.926
flat angles C4'-P-C4' energy: -139.726
flat angles P-C4'-P energy: -81.848
tors. eta vs tors. theta energy: -117.779
Dist. restrs. and SS energy: 2.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -2938.199481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2938.199481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2938.992016 (E_RNA)
where:
Base-Base interactions energy: -2053.393
where: short stacking energy: -825.460
Base-Backbone interact. energy: -7.158
local terms energy: -878.441237
where:
bonds (distance) C4'-P energy: -163.723
bonds (distance) P-C4' energy: -166.065
flat angles C4'-P-C4' energy: -181.049
flat angles P-C4'-P energy: -123.606
tors. eta vs tors. theta energy: -243.999
Dist. restrs. and SS energy: 0.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -2809.042035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.042035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.500589 (E_RNA)
where:
Base-Base interactions energy: -1937.477
where: short stacking energy: -824.098
Base-Backbone interact. energy: 3.384
local terms energy: -877.407517
where:
bonds (distance) C4'-P energy: -159.089
bonds (distance) P-C4' energy: -162.648
flat angles C4'-P-C4' energy: -183.966
flat angles P-C4'-P energy: -135.170
tors. eta vs tors. theta energy: -236.535
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: 3, replica: 2
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -2693.145211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.145211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.019431 (E_RNA)
where:
Base-Base interactions energy: -1857.953
where: short stacking energy: -799.161
Base-Backbone interact. energy: 1.622
local terms energy: -839.688240
where:
bonds (distance) C4'-P energy: -157.658
bonds (distance) P-C4' energy: -153.640
flat angles C4'-P-C4' energy: -170.873
flat angles P-C4'-P energy: -118.730
tors. eta vs tors. theta energy: -238.787
Dist. restrs. and SS energy: 2.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -2574.523900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.523900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.389010 (E_RNA)
where:
Base-Base interactions energy: -1776.582
where: short stacking energy: -746.373
Base-Backbone interact. energy: -1.597
local terms energy: -798.209108
where:
bonds (distance) C4'-P energy: -134.679
bonds (distance) P-C4' energy: -176.546
flat angles C4'-P-C4' energy: -173.829
flat angles P-C4'-P energy: -91.228
tors. eta vs tors. theta energy: -221.927
Dist. restrs. and SS energy: 1.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -2481.991026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.991026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.057776 (E_RNA)
where:
Base-Base interactions energy: -1704.931
where: short stacking energy: -727.490
Base-Backbone interact. energy: -2.100
local terms energy: -777.027095
where:
bonds (distance) C4'-P energy: -140.454
bonds (distance) P-C4' energy: -134.650
flat angles C4'-P-C4' energy: -176.103
flat angles P-C4'-P energy: -114.169
tors. eta vs tors. theta energy: -211.650
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: 6, replica: 1
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -2390.665508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.665508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.275739 (E_RNA)
where:
Base-Base interactions energy: -1635.021
where: short stacking energy: -681.583
Base-Backbone interact. energy: -0.680
local terms energy: -757.575567
where:
bonds (distance) C4'-P energy: -140.100
bonds (distance) P-C4' energy: -139.069
flat angles C4'-P-C4' energy: -163.423
flat angles P-C4'-P energy: -107.115
tors. eta vs tors. theta energy: -207.869
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: 7, replica: 6
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -2188.160203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.160203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.324899 (E_RNA)
where:
Base-Base interactions energy: -1527.504
where: short stacking energy: -624.052
Base-Backbone interact. energy: 1.785
local terms energy: -664.606165
where:
bonds (distance) C4'-P energy: -128.832
bonds (distance) P-C4' energy: -143.783
flat angles C4'-P-C4' energy: -155.823
flat angles P-C4'-P energy: -74.232
tors. eta vs tors. theta energy: -161.935
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: 8, replica: 8
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -2009.635767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.635767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.577591 (E_RNA)
where:
Base-Base interactions energy: -1363.958
where: short stacking energy: -585.549
Base-Backbone interact. energy: -2.855
local terms energy: -644.764762
where:
bonds (distance) C4'-P energy: -136.195
bonds (distance) P-C4' energy: -129.000
flat angles C4'-P-C4' energy: -141.955
flat angles P-C4'-P energy: -93.887
tors. eta vs tors. theta energy: -143.728
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: 4
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -1918.091950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.091950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.305331 (E_RNA)
where:
Base-Base interactions energy: -1305.640
where: short stacking energy: -567.090
Base-Backbone interact. energy: 1.781
local terms energy: -618.447055
where:
bonds (distance) C4'-P energy: -127.862
bonds (distance) P-C4' energy: -128.920
flat angles C4'-P-C4' energy: -132.903
flat angles P-C4'-P energy: -92.815
tors. eta vs tors. theta energy: -135.947
Dist. restrs. and SS energy: 4.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -1838.917752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.917752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.998188 (E_RNA)
where:
Base-Base interactions energy: -1271.814
where: short stacking energy: -528.330
Base-Backbone interact. energy: 2.394
local terms energy: -573.578808
where:
bonds (distance) C4'-P energy: -116.339
bonds (distance) P-C4' energy: -120.470
flat angles C4'-P-C4' energy: -134.651
flat angles P-C4'-P energy: -75.679
tors. eta vs tors. theta energy: -126.440
Dist. restrs. and SS energy: 4.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -2959.112926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2959.112926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2960.304490 (E_RNA)
where:
Base-Base interactions energy: -2049.793
where: short stacking energy: -841.873
Base-Backbone interact. energy: -4.720
local terms energy: -905.792334
where:
bonds (distance) C4'-P energy: -173.475
bonds (distance) P-C4' energy: -168.369
flat angles C4'-P-C4' energy: -191.415
flat angles P-C4'-P energy: -128.621
tors. eta vs tors. theta energy: -243.913
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: 2, replica: 10
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -2805.715256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.715256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.802448 (E_RNA)
where:
Base-Base interactions energy: -1945.542
where: short stacking energy: -817.993
Base-Backbone interact. energy: -2.366
local terms energy: -858.894044
where:
bonds (distance) C4'-P energy: -145.750
bonds (distance) P-C4' energy: -156.350
flat angles C4'-P-C4' energy: -186.596
flat angles P-C4'-P energy: -117.049
tors. eta vs tors. theta energy: -253.149
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: 3, replica: 9
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -2672.692484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.692484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.828019 (E_RNA)
where:
Base-Base interactions energy: -1845.330
where: short stacking energy: -779.212
Base-Backbone interact. energy: 0.694
local terms energy: -830.191871
where:
bonds (distance) C4'-P energy: -144.462
bonds (distance) P-C4' energy: -159.133
flat angles C4'-P-C4' energy: -178.437
flat angles P-C4'-P energy: -124.459
tors. eta vs tors. theta energy: -223.700
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: 4, replica: 2
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -2617.912607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.912607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.207216 (E_RNA)
where:
Base-Base interactions energy: -1832.960
where: short stacking energy: -761.906
Base-Backbone interact. energy: -2.119
local terms energy: -785.128278
where:
bonds (distance) C4'-P energy: -147.028
bonds (distance) P-C4' energy: -142.730
flat angles C4'-P-C4' energy: -166.840
flat angles P-C4'-P energy: -101.226
tors. eta vs tors. theta energy: -227.306
Dist. restrs. and SS energy: 2.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -2479.746820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.746820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.252347 (E_RNA)
where:
Base-Base interactions energy: -1705.833
where: short stacking energy: -719.166
Base-Backbone interact. energy: 0.469
local terms energy: -775.887868
where:
bonds (distance) C4'-P energy: -141.360
bonds (distance) P-C4' energy: -162.274
flat angles C4'-P-C4' energy: -155.906
flat angles P-C4'-P energy: -105.196
tors. eta vs tors. theta energy: -211.151
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: 6, replica: 1
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -2262.841027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.841027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.432258 (E_RNA)
where:
Base-Base interactions energy: -1533.972
where: short stacking energy: -645.691
Base-Backbone interact. energy: -1.351
local terms energy: -729.109374
where:
bonds (distance) C4'-P energy: -143.094
bonds (distance) P-C4' energy: -145.786
flat angles C4'-P-C4' energy: -161.986
flat angles P-C4'-P energy: -92.690
tors. eta vs tors. theta energy: -185.552
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: 6
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -2255.714589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.714589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.071377 (E_RNA)
where:
Base-Base interactions energy: -1552.506
where: short stacking energy: -662.565
Base-Backbone interact. energy: 0.827
local terms energy: -708.392189
where:
bonds (distance) C4'-P energy: -131.385
bonds (distance) P-C4' energy: -140.074
flat angles C4'-P-C4' energy: -162.242
flat angles P-C4'-P energy: -98.429
tors. eta vs tors. theta energy: -176.262
Dist. restrs. and SS energy: 4.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -1969.800038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.800038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.743084 (E_RNA)
where:
Base-Base interactions energy: -1358.579
where: short stacking energy: -581.614
Base-Backbone interact. energy: 4.175
local terms energy: -618.339035
where:
bonds (distance) C4'-P energy: -122.793
bonds (distance) P-C4' energy: -113.925
flat angles C4'-P-C4' energy: -136.511
flat angles P-C4'-P energy: -100.094
tors. eta vs tors. theta energy: -145.016
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: 9, replica: 4
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -1960.411650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.411650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.172578 (E_RNA)
where:
Base-Base interactions energy: -1332.343
where: short stacking energy: -559.099
Base-Backbone interact. energy: -2.317
local terms energy: -629.512985
where:
bonds (distance) C4'-P energy: -122.439
bonds (distance) P-C4' energy: -123.695
flat angles C4'-P-C4' energy: -152.509
flat angles P-C4'-P energy: -82.856
tors. eta vs tors. theta energy: -148.014
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: 10, replica: 5
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -1846.411904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.411904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.040433 (E_RNA)
where:
Base-Base interactions energy: -1229.741
where: short stacking energy: -517.158
Base-Backbone interact. energy: 2.093
local terms energy: -622.391810
where:
bonds (distance) C4'-P energy: -115.147
bonds (distance) P-C4' energy: -135.595
flat angles C4'-P-C4' energy: -150.179
flat angles P-C4'-P energy: -94.462
tors. eta vs tors. theta energy: -127.008
Dist. restrs. and SS energy: 3.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -2944.554140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2944.554140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2945.767144 (E_RNA)
where:
Base-Base interactions energy: -2056.065
where: short stacking energy: -840.648
Base-Backbone interact. energy: 3.957
local terms energy: -893.658812
where:
bonds (distance) C4'-P energy: -160.592
bonds (distance) P-C4' energy: -167.639
flat angles C4'-P-C4' energy: -191.441
flat angles P-C4'-P energy: -125.364
tors. eta vs tors. theta energy: -248.623
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: 10
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -2823.840174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.840174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.258389 (E_RNA)
where:
Base-Base interactions energy: -1985.903
where: short stacking energy: -830.854
Base-Backbone interact. energy: -0.402
local terms energy: -838.952823
where:
bonds (distance) C4'-P energy: -155.302
bonds (distance) P-C4' energy: -145.957
flat angles C4'-P-C4' energy: -168.481
flat angles P-C4'-P energy: -134.243
tors. eta vs tors. theta energy: -234.969
Dist. restrs. and SS energy: 1.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -2637.571948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.571948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.045467 (E_RNA)
where:
Base-Base interactions energy: -1837.652
where: short stacking energy: -773.968
Base-Backbone interact. energy: -1.161
local terms energy: -800.232411
where:
bonds (distance) C4'-P energy: -143.455
bonds (distance) P-C4' energy: -135.732
flat angles C4'-P-C4' energy: -180.523
flat angles P-C4'-P energy: -114.396
tors. eta vs tors. theta energy: -226.126
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: 4, replica: 3
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -2502.967057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.967057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.499140 (E_RNA)
where:
Base-Base interactions energy: -1718.718
where: short stacking energy: -726.863
Base-Backbone interact. energy: -3.410
local terms energy: -783.371669
where:
bonds (distance) C4'-P energy: -138.346
bonds (distance) P-C4' energy: -157.492
flat angles C4'-P-C4' energy: -162.834
flat angles P-C4'-P energy: -116.325
tors. eta vs tors. theta energy: -208.374
Dist. restrs. and SS energy: 2.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -2571.328242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.328242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.080928 (E_RNA)
where:
Base-Base interactions energy: -1794.617
where: short stacking energy: -747.605
Base-Backbone interact. energy: 2.247
local terms energy: -781.710925
where:
bonds (distance) C4'-P energy: -158.249
bonds (distance) P-C4' energy: -131.858
flat angles C4'-P-C4' energy: -170.795
flat angles P-C4'-P energy: -107.496
tors. eta vs tors. theta energy: -213.313
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: 6, replica: 1
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -2276.170969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.170969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.228153 (E_RNA)
where:
Base-Base interactions energy: -1571.536
where: short stacking energy: -651.149
Base-Backbone interact. energy: -2.209
local terms energy: -704.483284
where:
bonds (distance) C4'-P energy: -129.469
bonds (distance) P-C4' energy: -145.758
flat angles C4'-P-C4' energy: -134.368
flat angles P-C4'-P energy: -102.168
tors. eta vs tors. theta energy: -192.721
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: 7, replica: 6
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -2239.626815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.626815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.329212 (E_RNA)
where:
Base-Base interactions energy: -1534.287
where: short stacking energy: -642.932
Base-Backbone interact. energy: -2.789
local terms energy: -705.252673
where:
bonds (distance) C4'-P energy: -139.698
bonds (distance) P-C4' energy: -133.697
flat angles C4'-P-C4' energy: -144.963
flat angles P-C4'-P energy: -105.663
tors. eta vs tors. theta energy: -181.231
Dist. restrs. and SS energy: 2.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -2001.015813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.015813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.400808 (E_RNA)
where:
Base-Base interactions energy: -1318.970
where: short stacking energy: -557.993
Base-Backbone interact. energy: 2.724
local terms energy: -687.154520
where:
bonds (distance) C4'-P energy: -143.269
bonds (distance) P-C4' energy: -141.067
flat angles C4'-P-C4' energy: -133.354
flat angles P-C4'-P energy: -115.904
tors. eta vs tors. theta energy: -153.561
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: 4
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -1912.786333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.786333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.855933 (E_RNA)
where:
Base-Base interactions energy: -1239.981
where: short stacking energy: -519.056
Base-Backbone interact. energy: 0.067
local terms energy: -676.941514
where:
bonds (distance) C4'-P energy: -150.694
bonds (distance) P-C4' energy: -138.402
flat angles C4'-P-C4' energy: -157.073
flat angles P-C4'-P energy: -100.950
tors. eta vs tors. theta energy: -129.822
Dist. restrs. and SS energy: 4.070 (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: 5
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -1850.564949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.564949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.644691 (E_RNA)
where:
Base-Base interactions energy: -1252.614
where: short stacking energy: -504.170
Base-Backbone interact. energy: 2.374
local terms energy: -606.404624
where:
bonds (distance) C4'-P energy: -120.418
bonds (distance) P-C4' energy: -130.213
flat angles C4'-P-C4' energy: -144.456
flat angles P-C4'-P energy: -81.936
tors. eta vs tors. theta energy: -129.382
Dist. restrs. and SS energy: 6.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -2951.209124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2951.209124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2952.412168 (E_RNA)
where:
Base-Base interactions energy: -2049.440
where: short stacking energy: -867.081
Base-Backbone interact. energy: 6.434
local terms energy: -909.406621
where:
bonds (distance) C4'-P energy: -165.612
bonds (distance) P-C4' energy: -167.158
flat angles C4'-P-C4' energy: -187.601
flat angles P-C4'-P energy: -135.777
tors. eta vs tors. theta energy: -253.259
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: 10
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -2790.032358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.032358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.704711 (E_RNA)
where:
Base-Base interactions energy: -1946.892
where: short stacking energy: -793.005
Base-Backbone interact. energy: -3.286
local terms energy: -842.526482
where:
bonds (distance) C4'-P energy: -157.417
bonds (distance) P-C4' energy: -145.649
flat angles C4'-P-C4' energy: -175.783
flat angles P-C4'-P energy: -124.412
tors. eta vs tors. theta energy: -239.265
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: 3, replica: 9
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -2652.992282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.992282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.492971 (E_RNA)
where:
Base-Base interactions energy: -1829.540
where: short stacking energy: -783.291
Base-Backbone interact. energy: -2.214
local terms energy: -822.739010
where:
bonds (distance) C4'-P energy: -141.314
bonds (distance) P-C4' energy: -163.766
flat angles C4'-P-C4' energy: -175.152
flat angles P-C4'-P energy: -117.380
tors. eta vs tors. theta energy: -225.127
Dist. restrs. and SS energy: 1.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -2495.744364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.744364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.561893 (E_RNA)
where:
Base-Base interactions energy: -1728.005
where: short stacking energy: -753.778
Base-Backbone interact. energy: 2.418
local terms energy: -771.974654
where:
bonds (distance) C4'-P energy: -142.335
bonds (distance) P-C4' energy: -144.086
flat angles C4'-P-C4' energy: -160.301
flat angles P-C4'-P energy: -113.566
tors. eta vs tors. theta energy: -211.687
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: 5, replica: 2
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -2533.682673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.682673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.759937 (E_RNA)
where:
Base-Base interactions energy: -1761.355
where: short stacking energy: -755.713
Base-Backbone interact. energy: -4.874
local terms energy: -770.530560
where:
bonds (distance) C4'-P energy: -127.595
bonds (distance) P-C4' energy: -131.320
flat angles C4'-P-C4' energy: -177.960
flat angles P-C4'-P energy: -102.877
tors. eta vs tors. theta energy: -230.779
Dist. restrs. and SS energy: 3.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -2272.631357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.631357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.165534 (E_RNA)
where:
Base-Base interactions energy: -1523.000
where: short stacking energy: -630.561
Base-Backbone interact. energy: -1.057
local terms energy: -750.109067
where:
bonds (distance) C4'-P energy: -144.699
bonds (distance) P-C4' energy: -142.412
flat angles C4'-P-C4' energy: -160.134
flat angles P-C4'-P energy: -127.282
tors. eta vs tors. theta energy: -175.582
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: 6
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -2192.359396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.359396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.564516 (E_RNA)
where:
Base-Base interactions energy: -1521.951
where: short stacking energy: -654.331
Base-Backbone interact. energy: -3.233
local terms energy: -670.380633
where:
bonds (distance) C4'-P energy: -135.908
bonds (distance) P-C4' energy: -126.757
flat angles C4'-P-C4' energy: -137.851
flat angles P-C4'-P energy: -96.781
tors. eta vs tors. theta energy: -173.084
Dist. restrs. and SS energy: 3.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -1990.228910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.228910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.366255 (E_RNA)
where:
Base-Base interactions energy: -1348.648
where: short stacking energy: -577.300
Base-Backbone interact. energy: 0.831
local terms energy: -645.549930
where:
bonds (distance) C4'-P energy: -118.112
bonds (distance) P-C4' energy: -120.224
flat angles C4'-P-C4' energy: -165.551
flat angles P-C4'-P energy: -89.217
tors. eta vs tors. theta energy: -152.446
Dist. restrs. and SS energy: 3.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -1973.815853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.815853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.324578 (E_RNA)
where:
Base-Base interactions energy: -1340.762
where: short stacking energy: -560.484
Base-Backbone interact. energy: 2.916
local terms energy: -638.478384
where:
bonds (distance) C4'-P energy: -122.397
bonds (distance) P-C4' energy: -120.713
flat angles C4'-P-C4' energy: -162.975
flat angles P-C4'-P energy: -96.078
tors. eta vs tors. theta energy: -136.316
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: 10, replica: 5
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -1828.690998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.690998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.216622 (E_RNA)
where:
Base-Base interactions energy: -1241.619
where: short stacking energy: -493.898
Base-Backbone interact. energy: -0.771
local terms energy: -588.826292
where:
bonds (distance) C4'-P energy: -124.699
bonds (distance) P-C4' energy: -135.499
flat angles C4'-P-C4' energy: -138.334
flat angles P-C4'-P energy: -74.967
tors. eta vs tors. theta energy: -115.328
Dist. restrs. and SS energy: 2.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -2937.933033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2937.933033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2939.716568 (E_RNA)
where:
Base-Base interactions energy: -2081.272
where: short stacking energy: -855.323
Base-Backbone interact. energy: 4.239
local terms energy: -862.683489
where:
bonds (distance) C4'-P energy: -162.509
bonds (distance) P-C4' energy: -167.631
flat angles C4'-P-C4' energy: -172.911
flat angles P-C4'-P energy: -122.943
tors. eta vs tors. theta energy: -236.690
Dist. restrs. and SS energy: 1.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -2799.938759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.938759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.250998 (E_RNA)
where:
Base-Base interactions energy: -1913.681
where: short stacking energy: -814.657
Base-Backbone interact. energy: -1.763
local terms energy: -885.806742
where:
bonds (distance) C4'-P energy: -161.988
bonds (distance) P-C4' energy: -167.489
flat angles C4'-P-C4' energy: -184.697
flat angles P-C4'-P energy: -133.560
tors. eta vs tors. theta energy: -238.072
Dist. restrs. and SS energy: 1.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -2657.886925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.886925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.581214 (E_RNA)
where:
Base-Base interactions energy: -1819.815
where: short stacking energy: -786.334
Base-Backbone interact. energy: -3.334
local terms energy: -836.431871
where:
bonds (distance) C4'-P energy: -159.620
bonds (distance) P-C4' energy: -154.941
flat angles C4'-P-C4' energy: -180.738
flat angles P-C4'-P energy: -106.472
tors. eta vs tors. theta energy: -234.660
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: 2
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -2649.335612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.335612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.561240 (E_RNA)
where:
Base-Base interactions energy: -1830.335
where: short stacking energy: -736.252
Base-Backbone interact. energy: -3.082
local terms energy: -817.144794
where:
bonds (distance) C4'-P energy: -149.718
bonds (distance) P-C4' energy: -153.974
flat angles C4'-P-C4' energy: -164.414
flat angles P-C4'-P energy: -127.351
tors. eta vs tors. theta energy: -221.687
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: 5, replica: 3
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -2424.057751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.057751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.912265 (E_RNA)
where:
Base-Base interactions energy: -1672.719
where: short stacking energy: -711.407
Base-Backbone interact. energy: -1.479
local terms energy: -752.714690
where:
bonds (distance) C4'-P energy: -142.624
bonds (distance) P-C4' energy: -139.299
flat angles C4'-P-C4' energy: -163.378
flat angles P-C4'-P energy: -100.990
tors. eta vs tors. theta energy: -206.423
Dist. restrs. and SS energy: 2.855 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -2289.221188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.221188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.597468 (E_RNA)
where:
Base-Base interactions energy: -1558.972
where: short stacking energy: -672.748
Base-Backbone interact. energy: -0.965
local terms energy: -731.660498
where:
bonds (distance) C4'-P energy: -131.977
bonds (distance) P-C4' energy: -144.877
flat angles C4'-P-C4' energy: -160.255
flat angles P-C4'-P energy: -99.690
tors. eta vs tors. theta energy: -194.862
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: 7, replica: 6
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -2216.378666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.378666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.737363 (E_RNA)
where:
Base-Base interactions energy: -1556.066
where: short stacking energy: -675.944
Base-Backbone interact. energy: -1.135
local terms energy: -661.535825
where:
bonds (distance) C4'-P energy: -130.386
bonds (distance) P-C4' energy: -114.764
flat angles C4'-P-C4' energy: -164.695
flat angles P-C4'-P energy: -68.845
tors. eta vs tors. theta energy: -182.846
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: 4
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -1998.072726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.072726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.354093 (E_RNA)
where:
Base-Base interactions energy: -1329.092
where: short stacking energy: -568.549
Base-Backbone interact. energy: -1.518
local terms energy: -669.744036
where:
bonds (distance) C4'-P energy: -132.060
bonds (distance) P-C4' energy: -134.659
flat angles C4'-P-C4' energy: -157.615
flat angles P-C4'-P energy: -99.966
tors. eta vs tors. theta energy: -145.444
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: 9, replica: 8
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -1903.622842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.622842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.785905 (E_RNA)
where:
Base-Base interactions energy: -1304.543
where: short stacking energy: -541.275
Base-Backbone interact. energy: -2.317
local terms energy: -599.925878
where:
bonds (distance) C4'-P energy: -124.383
bonds (distance) P-C4' energy: -136.153
flat angles C4'-P-C4' energy: -124.394
flat angles P-C4'-P energy: -79.141
tors. eta vs tors. theta energy: -135.854
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: 10, replica: 5
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -1800.430066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.430066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.065930 (E_RNA)
where:
Base-Base interactions energy: -1229.892
where: short stacking energy: -509.973
Base-Backbone interact. energy: 8.293
local terms energy: -582.467058
where:
bonds (distance) C4'-P energy: -134.219
bonds (distance) P-C4' energy: -105.453
flat angles C4'-P-C4' energy: -133.752
flat angles P-C4'-P energy: -87.534
tors. eta vs tors. theta energy: -121.509
Dist. restrs. and SS energy: 3.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -2951.176172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2951.176172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2952.771840 (E_RNA)
where:
Base-Base interactions energy: -2071.735
where: short stacking energy: -845.102
Base-Backbone interact. energy: -2.803
local terms energy: -878.234041
where:
bonds (distance) C4'-P energy: -166.095
bonds (distance) P-C4' energy: -170.007
flat angles C4'-P-C4' energy: -172.461
flat angles P-C4'-P energy: -117.843
tors. eta vs tors. theta energy: -251.828
Dist. restrs. and SS energy: 1.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -2779.350782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2779.350782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.608691 (E_RNA)
where:
Base-Base interactions energy: -1933.972
where: short stacking energy: -784.262
Base-Backbone interact. energy: 1.880
local terms energy: -848.516077
where:
bonds (distance) C4'-P energy: -156.788
bonds (distance) P-C4' energy: -163.528
flat angles C4'-P-C4' energy: -179.996
flat angles P-C4'-P energy: -120.230
tors. eta vs tors. theta energy: -227.975
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: 3, replica: 9
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -2661.277229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.277229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.244101 (E_RNA)
where:
Base-Base interactions energy: -1821.669
where: short stacking energy: -768.201
Base-Backbone interact. energy: -1.790
local terms energy: -838.785157
where:
bonds (distance) C4'-P energy: -140.871
bonds (distance) P-C4' energy: -163.478
flat angles C4'-P-C4' energy: -175.493
flat angles P-C4'-P energy: -131.207
tors. eta vs tors. theta energy: -227.737
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: 4, replica: 2
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -2655.427548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.427548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.582690 (E_RNA)
where:
Base-Base interactions energy: -1865.680
where: short stacking energy: -770.379
Base-Backbone interact. energy: -0.600
local terms energy: -790.301941
where:
bonds (distance) C4'-P energy: -155.721
bonds (distance) P-C4' energy: -139.809
flat angles C4'-P-C4' energy: -161.946
flat angles P-C4'-P energy: -109.659
tors. eta vs tors. theta energy: -223.167
Dist. restrs. and SS energy: 1.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -2358.431892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.431892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.889609 (E_RNA)
where:
Base-Base interactions energy: -1624.815
where: short stacking energy: -683.605
Base-Backbone interact. energy: -1.358
local terms energy: -733.716834
where:
bonds (distance) C4'-P energy: -111.259
bonds (distance) P-C4' energy: -160.746
flat angles C4'-P-C4' energy: -169.887
flat angles P-C4'-P energy: -93.930
tors. eta vs tors. theta energy: -197.895
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: 6, replica: 3
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -2356.574917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.574917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.452862 (E_RNA)
where:
Base-Base interactions energy: -1630.150
where: short stacking energy: -683.558
Base-Backbone interact. energy: 2.855
local terms energy: -735.158460
where:
bonds (distance) C4'-P energy: -146.831
bonds (distance) P-C4' energy: -147.767
flat angles C4'-P-C4' energy: -160.410
flat angles P-C4'-P energy: -97.659
tors. eta vs tors. theta energy: -182.491
Dist. restrs. and SS energy: 5.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -2257.726611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.726611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.173421 (E_RNA)
where:
Base-Base interactions energy: -1559.830
where: short stacking energy: -639.977
Base-Backbone interact. energy: 3.128
local terms energy: -703.471262
where:
bonds (distance) C4'-P energy: -114.187
bonds (distance) P-C4' energy: -132.712
flat angles C4'-P-C4' energy: -168.947
flat angles P-C4'-P energy: -103.693
tors. eta vs tors. theta energy: -183.932
Dist. restrs. and SS energy: 2.447 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -1994.207138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.207138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.529879 (E_RNA)
where:
Base-Base interactions energy: -1346.035
where: short stacking energy: -564.725
Base-Backbone interact. energy: 0.396
local terms energy: -650.891066
where:
bonds (distance) C4'-P energy: -128.229
bonds (distance) P-C4' energy: -122.578
flat angles C4'-P-C4' energy: -152.227
flat angles P-C4'-P energy: -99.036
tors. eta vs tors. theta energy: -148.821
Dist. restrs. and SS energy: 2.323 (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: 432
Temperature: 1.300000
Total energy: -1867.174748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.174748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.211481 (E_RNA)
where:
Base-Base interactions energy: -1307.584
where: short stacking energy: -508.267
Base-Backbone interact. energy: 0.146
local terms energy: -562.773440
where:
bonds (distance) C4'-P energy: -114.028
bonds (distance) P-C4' energy: -109.539
flat angles C4'-P-C4' energy: -130.397
flat angles P-C4'-P energy: -85.840
tors. eta vs tors. theta energy: -122.969
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: 10, replica: 8
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -1829.038232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.038232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.727726 (E_RNA)
where:
Base-Base interactions energy: -1272.439
where: short stacking energy: -510.874
Base-Backbone interact. energy: 1.127
local terms energy: -559.415035
where:
bonds (distance) C4'-P energy: -117.164
bonds (distance) P-C4' energy: -111.449
flat angles C4'-P-C4' energy: -131.481
flat angles P-C4'-P energy: -80.907
tors. eta vs tors. theta energy: -118.415
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: 1, replica: 7
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -2953.235590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2953.235590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2954.654121 (E_RNA)
where:
Base-Base interactions energy: -2092.298
where: short stacking energy: -844.965
Base-Backbone interact. energy: 2.647
local terms energy: -865.002531
where:
bonds (distance) C4'-P energy: -145.770
bonds (distance) P-C4' energy: -153.430
flat angles C4'-P-C4' energy: -184.276
flat angles P-C4'-P energy: -123.664
tors. eta vs tors. theta energy: -257.863
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: 2, replica: 9
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -2781.921414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.921414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.210205 (E_RNA)
where:
Base-Base interactions energy: -1904.748
where: short stacking energy: -816.432
Base-Backbone interact. energy: -2.223
local terms energy: -876.240147
where:
bonds (distance) C4'-P energy: -152.500
bonds (distance) P-C4' energy: -157.266
flat angles C4'-P-C4' energy: -191.856
flat angles P-C4'-P energy: -133.056
tors. eta vs tors. theta energy: -241.562
Dist. restrs. and SS energy: 1.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -2726.197755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.197755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.634933 (E_RNA)
where:
Base-Base interactions energy: -1887.065
where: short stacking energy: -776.411
Base-Backbone interact. energy: 3.377
local terms energy: -843.947005
where:
bonds (distance) C4'-P energy: -153.754
bonds (distance) P-C4' energy: -150.028
flat angles C4'-P-C4' energy: -185.229
flat angles P-C4'-P energy: -127.214
tors. eta vs tors. theta energy: -227.722
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: 4, replica: 2
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -2690.524694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.524694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.922779 (E_RNA)
where:
Base-Base interactions energy: -1843.724
where: short stacking energy: -777.631
Base-Backbone interact. energy: -1.576
local terms energy: -846.621997
where:
bonds (distance) C4'-P energy: -154.831
bonds (distance) P-C4' energy: -149.327
flat angles C4'-P-C4' energy: -182.957
flat angles P-C4'-P energy: -127.193
tors. eta vs tors. theta energy: -232.313
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: 5, replica: 1
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -2363.270765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.270765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.410634 (E_RNA)
where:
Base-Base interactions energy: -1619.447
where: short stacking energy: -692.395
Base-Backbone interact. energy: 3.887
local terms energy: -749.851223
where:
bonds (distance) C4'-P energy: -141.093
bonds (distance) P-C4' energy: -136.252
flat angles C4'-P-C4' energy: -152.435
flat angles P-C4'-P energy: -108.697
tors. eta vs tors. theta energy: -211.374
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: 6, replica: 3
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -2346.332047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.332047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.493376 (E_RNA)
where:
Base-Base interactions energy: -1621.871
where: short stacking energy: -675.697
Base-Backbone interact. energy: -0.144
local terms energy: -726.478511
where:
bonds (distance) C4'-P energy: -149.597
bonds (distance) P-C4' energy: -134.570
flat angles C4'-P-C4' energy: -160.081
flat angles P-C4'-P energy: -93.113
tors. eta vs tors. theta energy: -189.118
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: 7, replica: 6
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -2266.547721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.547721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.530495 (E_RNA)
where:
Base-Base interactions energy: -1552.118
where: short stacking energy: -646.796
Base-Backbone interact. energy: -0.194
local terms energy: -716.218539
where:
bonds (distance) C4'-P energy: -131.286
bonds (distance) P-C4' energy: -141.977
flat angles C4'-P-C4' energy: -166.826
flat angles P-C4'-P energy: -92.896
tors. eta vs tors. theta energy: -183.233
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: 8, replica: 4
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -1993.839366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.839366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.958265 (E_RNA)
where:
Base-Base interactions energy: -1358.218
where: short stacking energy: -576.534
Base-Backbone interact. energy: -4.776
local terms energy: -632.964496
where:
bonds (distance) C4'-P energy: -95.504
bonds (distance) P-C4' energy: -144.836
flat angles C4'-P-C4' energy: -150.075
flat angles P-C4'-P energy: -96.349
tors. eta vs tors. theta energy: -146.201
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: 9, replica: 5
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -1944.788985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.788985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.035434 (E_RNA)
where:
Base-Base interactions energy: -1313.253
where: short stacking energy: -565.433
Base-Backbone interact. energy: 2.022
local terms energy: -636.803790
where:
bonds (distance) C4'-P energy: -117.554
bonds (distance) P-C4' energy: -121.172
flat angles C4'-P-C4' energy: -142.632
flat angles P-C4'-P energy: -100.557
tors. eta vs tors. theta energy: -154.889
Dist. restrs. and SS energy: 3.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -1837.987345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.987345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.805119 (E_RNA)
where:
Base-Base interactions energy: -1249.635
where: short stacking energy: -524.978
Base-Backbone interact. energy: 3.230
local terms energy: -594.400757
where:
bonds (distance) C4'-P energy: -132.534
bonds (distance) P-C4' energy: -135.522
flat angles C4'-P-C4' energy: -131.065
flat angles P-C4'-P energy: -63.740
tors. eta vs tors. theta energy: -131.540
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: 1, replica: 7
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -2967.384788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2967.384788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2968.178846 (E_RNA)
where:
Base-Base interactions energy: -2076.013
where: short stacking energy: -838.194
Base-Backbone interact. energy: -3.280
local terms energy: -888.885414
where:
bonds (distance) C4'-P energy: -162.661
bonds (distance) P-C4' energy: -165.955
flat angles C4'-P-C4' energy: -184.508
flat angles P-C4'-P energy: -128.802
tors. eta vs tors. theta energy: -246.960
Dist. restrs. and SS energy: 0.794 (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: 9
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -2752.936125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.936125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.982119 (E_RNA)
where:
Base-Base interactions energy: -1877.274
where: short stacking energy: -813.695
Base-Backbone interact. energy: 4.986
local terms energy: -882.694226
where:
bonds (distance) C4'-P energy: -149.975
bonds (distance) P-C4' energy: -179.394
flat angles C4'-P-C4' energy: -181.727
flat angles P-C4'-P energy: -131.829
tors. eta vs tors. theta energy: -239.769
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: 3, replica: 10
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -2704.969405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.969405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.294721 (E_RNA)
where:
Base-Base interactions energy: -1858.431
where: short stacking energy: -802.376
Base-Backbone interact. energy: -1.200
local terms energy: -846.663879
where:
bonds (distance) C4'-P energy: -141.826
bonds (distance) P-C4' energy: -154.254
flat angles C4'-P-C4' energy: -183.284
flat angles P-C4'-P energy: -128.725
tors. eta vs tors. theta energy: -238.575
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: 2
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -2615.613281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.613281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.524325 (E_RNA)
where:
Base-Base interactions energy: -1819.605
where: short stacking energy: -739.222
Base-Backbone interact. energy: 1.397
local terms energy: -799.316272
where:
bonds (distance) C4'-P energy: -153.606
bonds (distance) P-C4' energy: -138.589
flat angles C4'-P-C4' energy: -180.258
flat angles P-C4'-P energy: -115.646
tors. eta vs tors. theta energy: -211.216
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: 5, replica: 3
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -2421.476950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.476950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.209026 (E_RNA)
where:
Base-Base interactions energy: -1675.930
where: short stacking energy: -678.471
Base-Backbone interact. energy: -5.111
local terms energy: -742.167999
where:
bonds (distance) C4'-P energy: -124.140
bonds (distance) P-C4' energy: -165.467
flat angles C4'-P-C4' energy: -162.377
flat angles P-C4'-P energy: -100.015
tors. eta vs tors. theta energy: -190.168
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: 6, replica: 1
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -2403.649498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.649498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.611170 (E_RNA)
where:
Base-Base interactions energy: -1620.586
where: short stacking energy: -727.465
Base-Backbone interact. energy: 4.933
local terms energy: -789.958182
where:
bonds (distance) C4'-P energy: -146.564
bonds (distance) P-C4' energy: -145.988
flat angles C4'-P-C4' energy: -174.309
flat angles P-C4'-P energy: -115.016
tors. eta vs tors. theta energy: -208.081
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: 7, replica: 6
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -2275.724809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.724809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.031787 (E_RNA)
where:
Base-Base interactions energy: -1572.155
where: short stacking energy: -675.422
Base-Backbone interact. energy: -0.510
local terms energy: -705.366563
where:
bonds (distance) C4'-P energy: -136.125
bonds (distance) P-C4' energy: -145.799
flat angles C4'-P-C4' energy: -137.696
flat angles P-C4'-P energy: -91.125
tors. eta vs tors. theta energy: -194.621
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: 8, replica: 4
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -2018.757941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.757941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.706041 (E_RNA)
where:
Base-Base interactions energy: -1363.579
where: short stacking energy: -579.106
Base-Backbone interact. energy: 10.269
local terms energy: -668.395872
where:
bonds (distance) C4'-P energy: -133.353
bonds (distance) P-C4' energy: -123.122
flat angles C4'-P-C4' energy: -145.254
flat angles P-C4'-P energy: -97.384
tors. eta vs tors. theta energy: -169.282
Dist. restrs. and SS energy: 2.948 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -1929.273066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.273066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.559721 (E_RNA)
where:
Base-Base interactions energy: -1311.376
where: short stacking energy: -535.032
Base-Backbone interact. energy: 0.777
local terms energy: -620.960754
where:
bonds (distance) C4'-P energy: -125.755
bonds (distance) P-C4' energy: -128.391
flat angles C4'-P-C4' energy: -138.900
flat angles P-C4'-P energy: -85.745
tors. eta vs tors. theta energy: -142.169
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: 10, replica: 8
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -1850.458481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.458481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.554318 (E_RNA)
where:
Base-Base interactions energy: -1289.442
where: short stacking energy: -531.496
Base-Backbone interact. energy: 2.208
local terms energy: -566.320788
where:
bonds (distance) C4'-P energy: -112.269
bonds (distance) P-C4' energy: -117.587
flat angles C4'-P-C4' energy: -135.034
flat angles P-C4'-P energy: -72.543
tors. eta vs tors. theta energy: -128.888
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: 1, replica: 7
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -2947.437124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2947.437124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2948.833772 (E_RNA)
where:
Base-Base interactions energy: -2053.809
where: short stacking energy: -836.740
Base-Backbone interact. energy: -0.463
local terms energy: -894.561155
where:
bonds (distance) C4'-P energy: -156.528
bonds (distance) P-C4' energy: -167.471
flat angles C4'-P-C4' energy: -194.842
flat angles P-C4'-P energy: -130.072
tors. eta vs tors. theta energy: -245.648
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: 9
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -2727.871434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.871434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.194811 (E_RNA)
where:
Base-Base interactions energy: -1878.967
where: short stacking energy: -791.284
Base-Backbone interact. energy: -5.161
local terms energy: -846.067311
where:
bonds (distance) C4'-P energy: -151.163
bonds (distance) P-C4' energy: -170.223
flat angles C4'-P-C4' energy: -188.109
flat angles P-C4'-P energy: -115.086
tors. eta vs tors. theta energy: -221.487
Dist. restrs. and SS energy: 2.323 (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: 10
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -2687.672463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.672463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.547967 (E_RNA)
where:
Base-Base interactions energy: -1831.716
where: short stacking energy: -755.462
Base-Backbone interact. energy: -1.143
local terms energy: -856.688778
where:
bonds (distance) C4'-P energy: -161.501
bonds (distance) P-C4' energy: -165.809
flat angles C4'-P-C4' energy: -176.442
flat angles P-C4'-P energy: -128.350
tors. eta vs tors. theta energy: -224.586
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: 2
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -2682.551526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.551526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.117019 (E_RNA)
where:
Base-Base interactions energy: -1837.454
where: short stacking energy: -752.439
Base-Backbone interact. energy: 0.286
local terms energy: -846.948569
where:
bonds (distance) C4'-P energy: -155.017
bonds (distance) P-C4' energy: -174.810
flat angles C4'-P-C4' energy: -174.699
flat angles P-C4'-P energy: -120.831
tors. eta vs tors. theta energy: -221.592
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: 3
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -2403.964429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.964429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.813546 (E_RNA)
where:
Base-Base interactions energy: -1660.806
where: short stacking energy: -697.641
Base-Backbone interact. energy: 3.058
local terms energy: -749.065277
where:
bonds (distance) C4'-P energy: -146.930
bonds (distance) P-C4' energy: -126.843
flat angles C4'-P-C4' energy: -180.478
flat angles P-C4'-P energy: -94.258
tors. eta vs tors. theta energy: -200.556
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: 6, replica: 1
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -2317.561500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.561500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.699647 (E_RNA)
where:
Base-Base interactions energy: -1584.390
where: short stacking energy: -687.531
Base-Backbone interact. energy: -3.303
local terms energy: -732.006257
where:
bonds (distance) C4'-P energy: -122.425
bonds (distance) P-C4' energy: -130.537
flat angles C4'-P-C4' energy: -167.629
flat angles P-C4'-P energy: -101.984
tors. eta vs tors. theta energy: -209.431
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: 7, replica: 6
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -2227.873190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.873190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.927199 (E_RNA)
where:
Base-Base interactions energy: -1561.932
where: short stacking energy: -631.941
Base-Backbone interact. energy: -1.341
local terms energy: -667.654840
where:
bonds (distance) C4'-P energy: -128.965
bonds (distance) P-C4' energy: -129.771
flat angles C4'-P-C4' energy: -140.101
flat angles P-C4'-P energy: -96.086
tors. eta vs tors. theta energy: -172.732
Dist. restrs. and SS energy: 3.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -2019.367852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.367852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.933262 (E_RNA)
where:
Base-Base interactions energy: -1378.370
where: short stacking energy: -578.423
Base-Backbone interact. energy: 4.328
local terms energy: -647.891314
where:
bonds (distance) C4'-P energy: -132.135
bonds (distance) P-C4' energy: -124.452
flat angles C4'-P-C4' energy: -148.412
flat angles P-C4'-P energy: -89.614
tors. eta vs tors. theta energy: -153.278
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: 9, replica: 5
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -1932.177243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.177243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.521276 (E_RNA)
where:
Base-Base interactions energy: -1323.819
where: short stacking energy: -560.352
Base-Backbone interact. energy: -2.490
local terms energy: -608.211729
where:
bonds (distance) C4'-P energy: -114.062
bonds (distance) P-C4' energy: -143.199
flat angles C4'-P-C4' energy: -127.623
flat angles P-C4'-P energy: -95.331
tors. eta vs tors. theta energy: -127.996
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: 10, replica: 8
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -1913.218735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.218735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.936753 (E_RNA)
where:
Base-Base interactions energy: -1326.388
where: short stacking energy: -571.322
Base-Backbone interact. energy: -1.066
local terms energy: -590.482611
where:
bonds (distance) C4'-P energy: -139.531
bonds (distance) P-C4' energy: -137.735
flat angles C4'-P-C4' energy: -108.239
flat angles P-C4'-P energy: -62.429
tors. eta vs tors. theta energy: -142.547
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: 1, replica: 7
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -2959.135585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2959.135585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2961.115012 (E_RNA)
where:
Base-Base interactions energy: -2074.379
where: short stacking energy: -863.710
Base-Backbone interact. energy: -6.857
local terms energy: -879.878798
where:
bonds (distance) C4'-P energy: -146.971
bonds (distance) P-C4' energy: -167.134
flat angles C4'-P-C4' energy: -184.439
flat angles P-C4'-P energy: -124.811
tors. eta vs tors. theta energy: -256.524
Dist. restrs. and SS energy: 1.979 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -2725.147715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.147715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.935583 (E_RNA)
where:
Base-Base interactions energy: -1882.624
where: short stacking energy: -804.482
Base-Backbone interact. energy: -0.869
local terms energy: -843.442275
where:
bonds (distance) C4'-P energy: -144.565
bonds (distance) P-C4' energy: -166.906
flat angles C4'-P-C4' energy: -178.959
flat angles P-C4'-P energy: -134.487
tors. eta vs tors. theta energy: -218.525
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: 3, replica: 2
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -2724.926735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.926735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.632879 (E_RNA)
where:
Base-Base interactions energy: -1907.573
where: short stacking energy: -780.625
Base-Backbone interact. energy: -3.816
local terms energy: -815.243772
where:
bonds (distance) C4'-P energy: -150.949
bonds (distance) P-C4' energy: -142.674
flat angles C4'-P-C4' energy: -178.048
flat angles P-C4'-P energy: -118.293
tors. eta vs tors. theta energy: -225.280
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: 4, replica: 10
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -2629.396747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.396747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.080189 (E_RNA)
where:
Base-Base interactions energy: -1833.843
where: short stacking energy: -748.529
Base-Backbone interact. energy: -1.016
local terms energy: -796.221974
where:
bonds (distance) C4'-P energy: -139.430
bonds (distance) P-C4' energy: -135.893
flat angles C4'-P-C4' energy: -171.094
flat angles P-C4'-P energy: -120.046
tors. eta vs tors. theta energy: -229.759
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: 3
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -2461.668315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.668315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.766656 (E_RNA)
where:
Base-Base interactions energy: -1693.698
where: short stacking energy: -708.857
Base-Backbone interact. energy: 4.472
local terms energy: -774.540926
where:
bonds (distance) C4'-P energy: -146.150
bonds (distance) P-C4' energy: -153.517
flat angles C4'-P-C4' energy: -159.926
flat angles P-C4'-P energy: -110.184
tors. eta vs tors. theta energy: -204.765
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: 1
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -2281.725142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.725142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.056432 (E_RNA)
where:
Base-Base interactions energy: -1549.988
where: short stacking energy: -652.756
Base-Backbone interact. energy: 0.738
local terms energy: -734.806665
where:
bonds (distance) C4'-P energy: -152.942
bonds (distance) P-C4' energy: -149.238
flat angles C4'-P-C4' energy: -169.459
flat angles P-C4'-P energy: -74.731
tors. eta vs tors. theta energy: -188.436
Dist. restrs. and SS energy: 2.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -2238.827419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.827419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.047763 (E_RNA)
where:
Base-Base interactions energy: -1534.937
where: short stacking energy: -649.862
Base-Backbone interact. energy: 0.360
local terms energy: -709.470180
where:
bonds (distance) C4'-P energy: -138.711
bonds (distance) P-C4' energy: -136.330
flat angles C4'-P-C4' energy: -162.767
flat angles P-C4'-P energy: -81.665
tors. eta vs tors. theta energy: -189.998
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: 8, replica: 4
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -2009.514079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.514079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.645108 (E_RNA)
where:
Base-Base interactions energy: -1342.284
where: short stacking energy: -554.029
Base-Backbone interact. energy: -2.715
local terms energy: -667.646359
where:
bonds (distance) C4'-P energy: -132.112
bonds (distance) P-C4' energy: -139.249
flat angles C4'-P-C4' energy: -145.729
flat angles P-C4'-P energy: -104.433
tors. eta vs tors. theta energy: -146.123
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: 9, replica: 5
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -1932.608581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.608581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.308419 (E_RNA)
where:
Base-Base interactions energy: -1299.574
where: short stacking energy: -533.587
Base-Backbone interact. energy: -0.101
local terms energy: -636.634204
where:
bonds (distance) C4'-P energy: -119.377
bonds (distance) P-C4' energy: -150.248
flat angles C4'-P-C4' energy: -131.440
flat angles P-C4'-P energy: -88.307
tors. eta vs tors. theta energy: -147.261
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: 10, replica: 8
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -1864.333828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.333828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.083032 (E_RNA)
where:
Base-Base interactions energy: -1299.157
where: short stacking energy: -529.211
Base-Backbone interact. energy: -3.063
local terms energy: -564.862612
where:
bonds (distance) C4'-P energy: -106.039
bonds (distance) P-C4' energy: -132.911
flat angles C4'-P-C4' energy: -130.438
flat angles P-C4'-P energy: -63.860
tors. eta vs tors. theta energy: -131.614
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: 7
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -2971.610428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2971.610428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2972.680961 (E_RNA)
where:
Base-Base interactions energy: -2098.959
where: short stacking energy: -863.375
Base-Backbone interact. energy: 3.015
local terms energy: -876.737143
where:
bonds (distance) C4'-P energy: -153.701
bonds (distance) P-C4' energy: -169.983
flat angles C4'-P-C4' energy: -183.854
flat angles P-C4'-P energy: -116.263
tors. eta vs tors. theta energy: -252.935
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: 2, replica: 2
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -2793.166756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.166756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.693388 (E_RNA)
where:
Base-Base interactions energy: -1936.927
where: short stacking energy: -788.375
Base-Backbone interact. energy: 0.004
local terms energy: -857.770513
where:
bonds (distance) C4'-P energy: -141.438
bonds (distance) P-C4' energy: -170.246
flat angles C4'-P-C4' energy: -185.498
flat angles P-C4'-P energy: -138.068
tors. eta vs tors. theta energy: -222.521
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: 3, replica: 9
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -2683.230447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.230447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.402037 (E_RNA)
where:
Base-Base interactions energy: -1866.555
where: short stacking energy: -772.754
Base-Backbone interact. energy: -2.417
local terms energy: -815.429659
where:
bonds (distance) C4'-P energy: -144.336
bonds (distance) P-C4' energy: -146.720
flat angles C4'-P-C4' energy: -177.398
flat angles P-C4'-P energy: -128.053
tors. eta vs tors. theta energy: -218.923
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: 4, replica: 10
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -2633.266776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.266776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.290392 (E_RNA)
where:
Base-Base interactions energy: -1822.873
where: short stacking energy: -747.072
Base-Backbone interact. energy: -1.221
local terms energy: -811.196691
where:
bonds (distance) C4'-P energy: -153.273
bonds (distance) P-C4' energy: -147.072
flat angles C4'-P-C4' energy: -165.572
flat angles P-C4'-P energy: -117.016
tors. eta vs tors. theta energy: -228.264
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: 437
Temperature: 1.100000
Total energy: -2412.170775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.170775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.777035 (E_RNA)
where:
Base-Base interactions energy: -1626.428
where: short stacking energy: -689.317
Base-Backbone interact. energy: -0.648
local terms energy: -787.701776
where:
bonds (distance) C4'-P energy: -157.396
bonds (distance) P-C4' energy: -152.011
flat angles C4'-P-C4' energy: -179.480
flat angles P-C4'-P energy: -102.631
tors. eta vs tors. theta energy: -196.183
Dist. restrs. and SS energy: 2.606 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -2293.097144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.097144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.353153 (E_RNA)
where:
Base-Base interactions energy: -1603.095
where: short stacking energy: -667.077
Base-Backbone interact. energy: 8.570
local terms energy: -700.828422
where:
bonds (distance) C4'-P energy: -127.579
bonds (distance) P-C4' energy: -145.461
flat angles C4'-P-C4' energy: -151.257
flat angles P-C4'-P energy: -80.042
tors. eta vs tors. theta energy: -196.489
Dist. restrs. and SS energy: 2.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -2268.088910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.088910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.689761 (E_RNA)
where:
Base-Base interactions energy: -1549.266
where: short stacking energy: -672.810
Base-Backbone interact. energy: -0.536
local terms energy: -720.888239
where:
bonds (distance) C4'-P energy: -125.199
bonds (distance) P-C4' energy: -131.827
flat angles C4'-P-C4' energy: -164.495
flat angles P-C4'-P energy: -101.258
tors. eta vs tors. theta energy: -198.109
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: 8, replica: 5
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -2060.128572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.128572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.773951 (E_RNA)
where:
Base-Base interactions energy: -1396.038
where: short stacking energy: -603.595
Base-Backbone interact. energy: -0.360
local terms energy: -667.376489
where:
bonds (distance) C4'-P energy: -142.697
bonds (distance) P-C4' energy: -118.633
flat angles C4'-P-C4' energy: -140.484
flat angles P-C4'-P energy: -98.587
tors. eta vs tors. theta energy: -166.975
Dist. restrs. and SS energy: 3.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -1935.689086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.689086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.819761 (E_RNA)
where:
Base-Base interactions energy: -1340.327
where: short stacking energy: -552.069
Base-Backbone interact. energy: 6.428
local terms energy: -604.919999
where:
bonds (distance) C4'-P energy: -121.853
bonds (distance) P-C4' energy: -127.280
flat angles C4'-P-C4' energy: -151.572
flat angles P-C4'-P energy: -77.387
tors. eta vs tors. theta energy: -126.827
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: 10, replica: 8
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -1863.888636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.888636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.282236 (E_RNA)
where:
Base-Base interactions energy: -1268.785
where: short stacking energy: -539.664
Base-Backbone interact. energy: -3.029
local terms energy: -604.469006
where:
bonds (distance) C4'-P energy: -120.109
bonds (distance) P-C4' energy: -129.134
flat angles C4'-P-C4' energy: -128.165
flat angles P-C4'-P energy: -90.066
tors. eta vs tors. theta energy: -136.995
Dist. restrs. and SS energy: 12.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -2979.019137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2979.019137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2980.563989 (E_RNA)
where:
Base-Base interactions energy: -2089.053
where: short stacking energy: -860.471
Base-Backbone interact. energy: -2.592
local terms energy: -888.919124
where:
bonds (distance) C4'-P energy: -159.751
bonds (distance) P-C4' energy: -162.700
flat angles C4'-P-C4' energy: -191.620
flat angles P-C4'-P energy: -122.216
tors. eta vs tors. theta energy: -252.632
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: 2, replica: 2
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -2808.035058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.035058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.869111 (E_RNA)
where:
Base-Base interactions energy: -1923.115
where: short stacking energy: -800.205
Base-Backbone interact. energy: -2.446
local terms energy: -884.307426
where:
bonds (distance) C4'-P energy: -159.598
bonds (distance) P-C4' energy: -173.142
flat angles C4'-P-C4' energy: -181.961
flat angles P-C4'-P energy: -137.668
tors. eta vs tors. theta energy: -231.937
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: 3, replica: 10
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -2669.007899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.007899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.194019 (E_RNA)
where:
Base-Base interactions energy: -1831.423
where: short stacking energy: -770.757
Base-Backbone interact. energy: -0.213
local terms energy: -838.557070
where:
bonds (distance) C4'-P energy: -149.789
bonds (distance) P-C4' energy: -169.556
flat angles C4'-P-C4' energy: -180.719
flat angles P-C4'-P energy: -113.415
tors. eta vs tors. theta energy: -225.078
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: 9
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -2619.670014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.670014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.330115 (E_RNA)
where:
Base-Base interactions energy: -1813.918
where: short stacking energy: -743.439
Base-Backbone interact. energy: -0.712
local terms energy: -806.699279
where:
bonds (distance) C4'-P energy: -149.019
bonds (distance) P-C4' energy: -161.496
flat angles C4'-P-C4' energy: -163.130
flat angles P-C4'-P energy: -125.373
tors. eta vs tors. theta energy: -207.682
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: 5, replica: 3
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -2442.798869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.798869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.394464 (E_RNA)
where:
Base-Base interactions energy: -1642.050
where: short stacking energy: -702.050
Base-Backbone interact. energy: 0.619
local terms energy: -802.963228
where:
bonds (distance) C4'-P energy: -152.845
bonds (distance) P-C4' energy: -144.762
flat angles C4'-P-C4' energy: -177.510
flat angles P-C4'-P energy: -115.250
tors. eta vs tors. theta energy: -212.596
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: 6, replica: 1
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -2301.665349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.665349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.746328 (E_RNA)
where:
Base-Base interactions energy: -1540.844
where: short stacking energy: -657.778
Base-Backbone interact. energy: -1.763
local terms energy: -762.139612
where:
bonds (distance) C4'-P energy: -143.002
bonds (distance) P-C4' energy: -156.992
flat angles C4'-P-C4' energy: -165.636
flat angles P-C4'-P energy: -112.340
tors. eta vs tors. theta energy: -184.169
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: 6
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -2256.863615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.863615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.517732 (E_RNA)
where:
Base-Base interactions energy: -1560.901
where: short stacking energy: -654.137
Base-Backbone interact. energy: -2.729
local terms energy: -694.888233
where:
bonds (distance) C4'-P energy: -134.797
bonds (distance) P-C4' energy: -136.044
flat angles C4'-P-C4' energy: -157.194
flat angles P-C4'-P energy: -88.957
tors. eta vs tors. theta energy: -177.897
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: 8, replica: 5
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -1989.652191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.652191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.101913 (E_RNA)
where:
Base-Base interactions energy: -1342.654
where: short stacking energy: -569.639
Base-Backbone interact. energy: 1.482
local terms energy: -650.929495
where:
bonds (distance) C4'-P energy: -121.022
bonds (distance) P-C4' energy: -149.851
flat angles C4'-P-C4' energy: -145.119
flat angles P-C4'-P energy: -85.823
tors. eta vs tors. theta energy: -149.114
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: 4
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -1948.239126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.239126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.496714 (E_RNA)
where:
Base-Base interactions energy: -1326.558
where: short stacking energy: -540.371
Base-Backbone interact. energy: 6.036
local terms energy: -631.975047
where:
bonds (distance) C4'-P energy: -120.248
bonds (distance) P-C4' energy: -117.618
flat angles C4'-P-C4' energy: -154.896
flat angles P-C4'-P energy: -104.076
tors. eta vs tors. theta energy: -135.136
Dist. restrs. and SS energy: 4.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -1855.543905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.543905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.719771 (E_RNA)
where:
Base-Base interactions energy: -1268.185
where: short stacking energy: -522.965
Base-Backbone interact. energy: 1.977
local terms energy: -592.512008
where:
bonds (distance) C4'-P energy: -119.501
bonds (distance) P-C4' energy: -134.224
flat angles C4'-P-C4' energy: -121.118
flat angles P-C4'-P energy: -95.460
tors. eta vs tors. theta energy: -122.209
Dist. restrs. and SS energy: 3.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -2956.719715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2956.719715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2957.576678 (E_RNA)
where:
Base-Base interactions energy: -2087.846
where: short stacking energy: -834.616
Base-Backbone interact. energy: -3.240
local terms energy: -866.490907
where:
bonds (distance) C4'-P energy: -149.032
bonds (distance) P-C4' energy: -154.290
flat angles C4'-P-C4' energy: -195.033
flat angles P-C4'-P energy: -126.463
tors. eta vs tors. theta energy: -241.673
Dist. restrs. and SS energy: 0.857 (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: 2
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -2843.456050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.456050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2844.855159 (E_RNA)
where:
Base-Base interactions energy: -1970.157
where: short stacking energy: -841.536
Base-Backbone interact. energy: -0.170
local terms energy: -874.528408
where:
bonds (distance) C4'-P energy: -159.316
bonds (distance) P-C4' energy: -156.011
flat angles C4'-P-C4' energy: -187.032
flat angles P-C4'-P energy: -127.944
tors. eta vs tors. theta energy: -244.225
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: 10
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -2689.719563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.719563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.408692 (E_RNA)
where:
Base-Base interactions energy: -1858.877
where: short stacking energy: -786.397
Base-Backbone interact. energy: -3.169
local terms energy: -829.362048
where:
bonds (distance) C4'-P energy: -159.736
bonds (distance) P-C4' energy: -149.639
flat angles C4'-P-C4' energy: -172.472
flat angles P-C4'-P energy: -115.998
tors. eta vs tors. theta energy: -231.516
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: 9
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -2597.277985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.277985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.880236 (E_RNA)
where:
Base-Base interactions energy: -1788.438
where: short stacking energy: -727.666
Base-Backbone interact. energy: -2.971
local terms energy: -807.471298
where:
bonds (distance) C4'-P energy: -136.399
bonds (distance) P-C4' energy: -155.596
flat angles C4'-P-C4' energy: -177.036
flat angles P-C4'-P energy: -112.711
tors. eta vs tors. theta energy: -225.729
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: 5, replica: 3
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -2406.675193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.675193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.773120 (E_RNA)
where:
Base-Base interactions energy: -1650.739
where: short stacking energy: -678.512
Base-Backbone interact. energy: -0.269
local terms energy: -756.764600
where:
bonds (distance) C4'-P energy: -148.485
bonds (distance) P-C4' energy: -140.511
flat angles C4'-P-C4' energy: -178.607
flat angles P-C4'-P energy: -101.062
tors. eta vs tors. theta energy: -188.100
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: 6, replica: 6
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -2324.869908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.869908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.190769 (E_RNA)
where:
Base-Base interactions energy: -1594.214
where: short stacking energy: -705.922
Base-Backbone interact. energy: -1.070
local terms energy: -731.906197
where:
bonds (distance) C4'-P energy: -128.181
bonds (distance) P-C4' energy: -133.422
flat angles C4'-P-C4' energy: -171.090
flat angles P-C4'-P energy: -101.471
tors. eta vs tors. theta energy: -197.742
Dist. restrs. and SS energy: 2.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -2214.818532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.818532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.631802 (E_RNA)
where:
Base-Base interactions energy: -1488.899
where: short stacking energy: -622.529
Base-Backbone interact. energy: -3.390
local terms energy: -724.342719
where:
bonds (distance) C4'-P energy: -154.633
bonds (distance) P-C4' energy: -128.597
flat angles C4'-P-C4' energy: -154.333
flat angles P-C4'-P energy: -108.517
tors. eta vs tors. theta energy: -178.264
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: 8, replica: 4
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -1981.318150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.318150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.229570 (E_RNA)
where:
Base-Base interactions energy: -1349.887
where: short stacking energy: -586.349
Base-Backbone interact. energy: -3.242
local terms energy: -631.100259
where:
bonds (distance) C4'-P energy: -128.915
bonds (distance) P-C4' energy: -129.361
flat angles C4'-P-C4' energy: -146.783
flat angles P-C4'-P energy: -92.637
tors. eta vs tors. theta energy: -133.404
Dist. restrs. and SS energy: 2.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -1897.197117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.197117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.618481 (E_RNA)
where:
Base-Base interactions energy: -1281.229
where: short stacking energy: -539.893
Base-Backbone interact. energy: -2.912
local terms energy: -616.477614
where:
bonds (distance) C4'-P energy: -118.508
bonds (distance) P-C4' energy: -146.872
flat angles C4'-P-C4' energy: -132.109
flat angles P-C4'-P energy: -94.969
tors. eta vs tors. theta energy: -124.019
Dist. restrs. and SS energy: 3.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -1862.046744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.046744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.187729 (E_RNA)
where:
Base-Base interactions energy: -1251.414
where: short stacking energy: -531.102
Base-Backbone interact. energy: -4.359
local terms energy: -607.414249
where:
bonds (distance) C4'-P energy: -121.028
bonds (distance) P-C4' energy: -119.055
flat angles C4'-P-C4' energy: -131.020
flat angles P-C4'-P energy: -100.869
tors. eta vs tors. theta energy: -135.442
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: 1, replica: 7
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -2949.748203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2949.748203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2950.816416 (E_RNA)
where:
Base-Base interactions energy: -2046.387
where: short stacking energy: -854.541
Base-Backbone interact. energy: -3.288
local terms energy: -901.141710
where:
bonds (distance) C4'-P energy: -162.361
bonds (distance) P-C4' energy: -171.237
flat angles C4'-P-C4' energy: -200.547
flat angles P-C4'-P energy: -117.454
tors. eta vs tors. theta energy: -249.542
Dist. restrs. and SS energy: 1.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -2820.026187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.026187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.354877 (E_RNA)
where:
Base-Base interactions energy: -1968.589
where: short stacking energy: -822.243
Base-Backbone interact. energy: -4.635
local terms energy: -848.130339
where:
bonds (distance) C4'-P energy: -157.569
bonds (distance) P-C4' energy: -159.739
flat angles C4'-P-C4' energy: -186.092
flat angles P-C4'-P energy: -107.062
tors. eta vs tors. theta energy: -237.669
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: 10
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -2691.786981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.786981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.152311 (E_RNA)
where:
Base-Base interactions energy: -1856.502
where: short stacking energy: -798.981
Base-Backbone interact. energy: 1.655
local terms energy: -839.304768
where:
bonds (distance) C4'-P energy: -155.562
bonds (distance) P-C4' energy: -152.331
flat angles C4'-P-C4' energy: -171.219
flat angles P-C4'-P energy: -128.127
tors. eta vs tors. theta energy: -232.065
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: 4, replica: 9
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -2599.994573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.994573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.438963 (E_RNA)
where:
Base-Base interactions energy: -1799.351
where: short stacking energy: -730.802
Base-Backbone interact. energy: 4.995
local terms energy: -807.083466
where:
bonds (distance) C4'-P energy: -147.705
bonds (distance) P-C4' energy: -147.315
flat angles C4'-P-C4' energy: -177.730
flat angles P-C4'-P energy: -115.073
tors. eta vs tors. theta energy: -219.261
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: 5, replica: 3
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -2441.375628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.375628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.187958 (E_RNA)
where:
Base-Base interactions energy: -1699.261
where: short stacking energy: -720.319
Base-Backbone interact. energy: -0.495
local terms energy: -744.432552
where:
bonds (distance) C4'-P energy: -146.081
bonds (distance) P-C4' energy: -127.510
flat angles C4'-P-C4' energy: -174.175
flat angles P-C4'-P energy: -98.362
tors. eta vs tors. theta energy: -198.304
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: 440
Temperature: 1.150000
Total energy: -2331.034281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.034281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.830205 (E_RNA)
where:
Base-Base interactions energy: -1596.547
where: short stacking energy: -678.878
Base-Backbone interact. energy: -1.983
local terms energy: -734.300490
where:
bonds (distance) C4'-P energy: -144.557
bonds (distance) P-C4' energy: -142.425
flat angles C4'-P-C4' energy: -163.419
flat angles P-C4'-P energy: -108.162
tors. eta vs tors. theta energy: -175.738
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: 7, replica: 1
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -2256.068946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.068946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.777989 (E_RNA)
where:
Base-Base interactions energy: -1531.007
where: short stacking energy: -640.585
Base-Backbone interact. energy: 4.777
local terms energy: -731.548223
where:
bonds (distance) C4'-P energy: -132.852
bonds (distance) P-C4' energy: -156.016
flat angles C4'-P-C4' energy: -167.555
flat angles P-C4'-P energy: -106.123
tors. eta vs tors. theta energy: -169.002
Dist. restrs. and SS energy: 1.709 (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: 4
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -1989.874145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.874145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.880707 (E_RNA)
where:
Base-Base interactions energy: -1341.047
where: short stacking energy: -563.280
Base-Backbone interact. energy: 1.923
local terms energy: -653.756274
where:
bonds (distance) C4'-P energy: -143.252
bonds (distance) P-C4' energy: -141.872
flat angles C4'-P-C4' energy: -151.195
flat angles P-C4'-P energy: -77.596
tors. eta vs tors. theta energy: -139.840
Dist. restrs. and SS energy: 3.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -1900.020189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.020189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.677089 (E_RNA)
where:
Base-Base interactions energy: -1303.701
where: short stacking energy: -539.837
Base-Backbone interact. energy: 7.534
local terms energy: -606.510175
where:
bonds (distance) C4'-P energy: -133.690
bonds (distance) P-C4' energy: -134.115
flat angles C4'-P-C4' energy: -128.569
flat angles P-C4'-P energy: -93.110
tors. eta vs tors. theta energy: -117.026
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: 10, replica: 5
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -1829.690992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.690992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.796999 (E_RNA)
where:
Base-Base interactions energy: -1232.549
where: short stacking energy: -515.958
Base-Backbone interact. energy: 3.120
local terms energy: -605.368093
where:
bonds (distance) C4'-P energy: -135.379
bonds (distance) P-C4' energy: -131.907
flat angles C4'-P-C4' energy: -130.933
flat angles P-C4'-P energy: -92.809
tors. eta vs tors. theta energy: -114.340
Dist. restrs. and SS energy: 5.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -2947.341363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2947.341363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2949.157502 (E_RNA)
where:
Base-Base interactions energy: -2053.654
where: short stacking energy: -858.193
Base-Backbone interact. energy: -3.532
local terms energy: -891.971706
where:
bonds (distance) C4'-P energy: -158.891
bonds (distance) P-C4' energy: -158.383
flat angles C4'-P-C4' energy: -197.516
flat angles P-C4'-P energy: -127.960
tors. eta vs tors. theta energy: -249.221
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: 2, replica: 2
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -2795.806852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.806852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.684884 (E_RNA)
where:
Base-Base interactions energy: -1934.136
where: short stacking energy: -825.326
Base-Backbone interact. energy: -3.371
local terms energy: -861.177306
where:
bonds (distance) C4'-P energy: -161.374
bonds (distance) P-C4' energy: -158.518
flat angles C4'-P-C4' energy: -188.227
flat angles P-C4'-P energy: -110.197
tors. eta vs tors. theta energy: -242.862
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: 3, replica: 10
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -2682.862785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.862785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.428956 (E_RNA)
where:
Base-Base interactions energy: -1853.394
where: short stacking energy: -784.526
Base-Backbone interact. energy: 0.159
local terms energy: -831.194424
where:
bonds (distance) C4'-P energy: -142.675
bonds (distance) P-C4' energy: -161.396
flat angles C4'-P-C4' energy: -178.520
flat angles P-C4'-P energy: -116.487
tors. eta vs tors. theta energy: -232.116
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: 9
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -2621.853324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.853324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.434294 (E_RNA)
where:
Base-Base interactions energy: -1838.182
where: short stacking energy: -773.581
Base-Backbone interact. energy: -4.056
local terms energy: -782.196075
where:
bonds (distance) C4'-P energy: -132.527
bonds (distance) P-C4' energy: -156.472
flat angles C4'-P-C4' energy: -167.086
flat angles P-C4'-P energy: -109.472
tors. eta vs tors. theta energy: -216.638
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: 5, replica: 3
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -2473.563929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.563929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.785648 (E_RNA)
where:
Base-Base interactions energy: -1708.456
where: short stacking energy: -729.592
Base-Backbone interact. energy: -0.843
local terms energy: -766.486734
where:
bonds (distance) C4'-P energy: -142.814
bonds (distance) P-C4' energy: -145.558
flat angles C4'-P-C4' energy: -167.966
flat angles P-C4'-P energy: -100.512
tors. eta vs tors. theta energy: -209.637
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: 441
Temperature: 1.150000
Total energy: -2352.842023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.842023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.334186 (E_RNA)
where:
Base-Base interactions energy: -1587.040
where: short stacking energy: -682.996
Base-Backbone interact. energy: -0.844
local terms energy: -767.451046
where:
bonds (distance) C4'-P energy: -146.619
bonds (distance) P-C4' energy: -156.813
flat angles C4'-P-C4' energy: -153.817
flat angles P-C4'-P energy: -109.804
tors. eta vs tors. theta energy: -200.397
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: 7, replica: 1
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -2183.325501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.325501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.663933 (E_RNA)
where:
Base-Base interactions energy: -1493.215
where: short stacking energy: -630.863
Base-Backbone interact. energy: -0.624
local terms energy: -691.825061
where:
bonds (distance) C4'-P energy: -126.197
bonds (distance) P-C4' energy: -141.571
flat angles C4'-P-C4' energy: -149.279
flat angles P-C4'-P energy: -111.203
tors. eta vs tors. theta energy: -163.575
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: 8, replica: 4
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -2019.217978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.217978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.532083 (E_RNA)
where:
Base-Base interactions energy: -1338.654
where: short stacking energy: -572.184
Base-Backbone interact. energy: -2.831
local terms energy: -681.046986
where:
bonds (distance) C4'-P energy: -129.589
bonds (distance) P-C4' energy: -122.780
flat angles C4'-P-C4' energy: -159.082
flat angles P-C4'-P energy: -112.458
tors. eta vs tors. theta energy: -157.138
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: 9, replica: 8
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -1906.882596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.882596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.022861 (E_RNA)
where:
Base-Base interactions energy: -1327.330
where: short stacking energy: -527.918
Base-Backbone interact. energy: -0.318
local terms energy: -582.374875
where:
bonds (distance) C4'-P energy: -99.416
bonds (distance) P-C4' energy: -147.437
flat angles C4'-P-C4' energy: -122.634
flat angles P-C4'-P energy: -85.288
tors. eta vs tors. theta energy: -127.600
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: 10, replica: 5
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -1877.641295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.641295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.248716 (E_RNA)
where:
Base-Base interactions energy: -1271.687
where: short stacking energy: -524.789
Base-Backbone interact. energy: -0.923
local terms energy: -608.639199
where:
bonds (distance) C4'-P energy: -119.313
bonds (distance) P-C4' energy: -123.577
flat angles C4'-P-C4' energy: -147.070
flat angles P-C4'-P energy: -90.329
tors. eta vs tors. theta energy: -128.350
Dist. restrs. and SS energy: 3.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -2964.319193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2964.319193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2966.516207 (E_RNA)
where:
Base-Base interactions energy: -2059.656
where: short stacking energy: -858.275
Base-Backbone interact. energy: -1.618
local terms energy: -905.241860
where:
bonds (distance) C4'-P energy: -157.496
bonds (distance) P-C4' energy: -160.829
flat angles C4'-P-C4' energy: -195.926
flat angles P-C4'-P energy: -128.495
tors. eta vs tors. theta energy: -262.496
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: 2
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -2786.703231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.703231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.298698 (E_RNA)
where:
Base-Base interactions energy: -1946.183
where: short stacking energy: -805.258
Base-Backbone interact. energy: -4.808
local terms energy: -838.307668
where:
bonds (distance) C4'-P energy: -144.418
bonds (distance) P-C4' energy: -151.242
flat angles C4'-P-C4' energy: -187.727
flat angles P-C4'-P energy: -126.084
tors. eta vs tors. theta energy: -228.837
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: 3, replica: 10
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -2698.153745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.153745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.302575 (E_RNA)
where:
Base-Base interactions energy: -1857.486
where: short stacking energy: -774.794
Base-Backbone interact. energy: -1.156
local terms energy: -841.660921
where:
bonds (distance) C4'-P energy: -168.339
bonds (distance) P-C4' energy: -155.744
flat angles C4'-P-C4' energy: -163.075
flat angles P-C4'-P energy: -122.162
tors. eta vs tors. theta energy: -232.341
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: 9
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -2644.398941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.398941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.250193 (E_RNA)
where:
Base-Base interactions energy: -1844.911
where: short stacking energy: -769.173
Base-Backbone interact. energy: 5.568
local terms energy: -806.907257
where:
bonds (distance) C4'-P energy: -147.784
bonds (distance) P-C4' energy: -153.672
flat angles C4'-P-C4' energy: -173.334
flat angles P-C4'-P energy: -104.190
tors. eta vs tors. theta energy: -227.926
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: 5, replica: 3
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -2422.342325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.342325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.337307 (E_RNA)
where:
Base-Base interactions energy: -1657.748
where: short stacking energy: -686.854
Base-Backbone interact. energy: -1.776
local terms energy: -764.812547
where:
bonds (distance) C4'-P energy: -151.531
bonds (distance) P-C4' energy: -159.806
flat angles C4'-P-C4' energy: -169.249
flat angles P-C4'-P energy: -97.713
tors. eta vs tors. theta energy: -186.514
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: 6, replica: 6
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -2333.496367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.496367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.274702 (E_RNA)
where:
Base-Base interactions energy: -1591.209
where: short stacking energy: -666.504
Base-Backbone interact. energy: 0.956
local terms energy: -747.021014
where:
bonds (distance) C4'-P energy: -134.985
bonds (distance) P-C4' energy: -142.584
flat angles C4'-P-C4' energy: -162.617
flat angles P-C4'-P energy: -109.731
tors. eta vs tors. theta energy: -197.103
Dist. restrs. and SS energy: 3.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -2218.606010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.606010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.609154 (E_RNA)
where:
Base-Base interactions energy: -1518.739
where: short stacking energy: -633.795
Base-Backbone interact. energy: 0.359
local terms energy: -702.229631
where:
bonds (distance) C4'-P energy: -125.883
bonds (distance) P-C4' energy: -141.741
flat angles C4'-P-C4' energy: -148.671
flat angles P-C4'-P energy: -107.160
tors. eta vs tors. theta energy: -178.774
Dist. restrs. and SS energy: 2.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -1964.111796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.111796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.517731 (E_RNA)
where:
Base-Base interactions energy: -1333.193
where: short stacking energy: -575.753
Base-Backbone interact. energy: -2.748
local terms energy: -635.576952
where:
bonds (distance) C4'-P energy: -113.815
bonds (distance) P-C4' energy: -137.647
flat angles C4'-P-C4' energy: -145.557
flat angles P-C4'-P energy: -89.771
tors. eta vs tors. theta energy: -148.787
Dist. restrs. and SS energy: 7.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -1976.250918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.250918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.050469 (E_RNA)
where:
Base-Base interactions energy: -1338.290
where: short stacking energy: -571.226
Base-Backbone interact. energy: -1.195
local terms energy: -640.566204
where:
bonds (distance) C4'-P energy: -133.686
bonds (distance) P-C4' energy: -134.366
flat angles C4'-P-C4' energy: -154.299
flat angles P-C4'-P energy: -52.685
tors. eta vs tors. theta energy: -165.529
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: 10, replica: 8
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -1864.994625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.994625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.627969 (E_RNA)
where:
Base-Base interactions energy: -1252.010
where: short stacking energy: -519.973
Base-Backbone interact. energy: -0.704
local terms energy: -616.913770
where:
bonds (distance) C4'-P energy: -116.561
bonds (distance) P-C4' energy: -143.827
flat angles C4'-P-C4' energy: -138.345
flat angles P-C4'-P energy: -86.831
tors. eta vs tors. theta energy: -131.349
Dist. restrs. and SS energy: 4.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -2964.939374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2964.939374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2967.048973 (E_RNA)
where:
Base-Base interactions energy: -2077.191
where: short stacking energy: -853.314
Base-Backbone interact. energy: -2.494
local terms energy: -887.364491
where:
bonds (distance) C4'-P energy: -162.930
bonds (distance) P-C4' energy: -163.418
flat angles C4'-P-C4' energy: -182.412
flat angles P-C4'-P energy: -129.646
tors. eta vs tors. theta energy: -248.959
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: 2, replica: 2
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -2786.932604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.932604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.339600 (E_RNA)
where:
Base-Base interactions energy: -1966.452
where: short stacking energy: -810.595
Base-Backbone interact. energy: -2.755
local terms energy: -819.132279
where:
bonds (distance) C4'-P energy: -146.693
bonds (distance) P-C4' energy: -149.844
flat angles C4'-P-C4' energy: -176.979
flat angles P-C4'-P energy: -112.099
tors. eta vs tors. theta energy: -233.518
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: 10
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -2685.884096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.884096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.236000 (E_RNA)
where:
Base-Base interactions energy: -1843.836
where: short stacking energy: -782.950
Base-Backbone interact. energy: -3.707
local terms energy: -840.693481
where:
bonds (distance) C4'-P energy: -161.363
bonds (distance) P-C4' energy: -151.622
flat angles C4'-P-C4' energy: -181.079
flat angles P-C4'-P energy: -119.452
tors. eta vs tors. theta energy: -227.178
Dist. restrs. and SS energy: 2.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -2644.124796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.124796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.734484 (E_RNA)
where:
Base-Base interactions energy: -1831.055
where: short stacking energy: -782.081
Base-Backbone interact. energy: -1.707
local terms energy: -813.973013
where:
bonds (distance) C4'-P energy: -146.880
bonds (distance) P-C4' energy: -143.388
flat angles C4'-P-C4' energy: -179.490
flat angles P-C4'-P energy: -115.309
tors. eta vs tors. theta energy: -228.906
Dist. restrs. and SS energy: 2.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -2439.707869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.707869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.046216 (E_RNA)
where:
Base-Base interactions energy: -1692.862
where: short stacking energy: -719.067
Base-Backbone interact. energy: 0.150
local terms energy: -749.334041
where:
bonds (distance) C4'-P energy: -135.070
bonds (distance) P-C4' energy: -145.644
flat angles C4'-P-C4' energy: -158.353
flat angles P-C4'-P energy: -104.776
tors. eta vs tors. theta energy: -205.491
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: 6, replica: 6
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -2377.809756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.809756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.395625 (E_RNA)
where:
Base-Base interactions energy: -1638.096
where: short stacking energy: -708.929
Base-Backbone interact. energy: 1.028
local terms energy: -742.327706
where:
bonds (distance) C4'-P energy: -138.073
bonds (distance) P-C4' energy: -126.347
flat angles C4'-P-C4' energy: -174.046
flat angles P-C4'-P energy: -103.853
tors. eta vs tors. theta energy: -200.008
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: 7, replica: 1
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -2253.392288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.392288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.607622 (E_RNA)
where:
Base-Base interactions energy: -1555.216
where: short stacking energy: -668.897
Base-Backbone interact. energy: 3.206
local terms energy: -702.597459
where:
bonds (distance) C4'-P energy: -133.337
bonds (distance) P-C4' energy: -143.907
flat angles C4'-P-C4' energy: -144.897
flat angles P-C4'-P energy: -99.711
tors. eta vs tors. theta energy: -180.746
Dist. restrs. and SS energy: 1.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -2016.648366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.648366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.526768 (E_RNA)
where:
Base-Base interactions energy: -1356.319
where: short stacking energy: -584.581
Base-Backbone interact. energy: -3.450
local terms energy: -658.758478
where:
bonds (distance) C4'-P energy: -128.804
bonds (distance) P-C4' energy: -139.392
flat angles C4'-P-C4' energy: -150.455
flat angles P-C4'-P energy: -81.049
tors. eta vs tors. theta energy: -159.059
Dist. restrs. and SS energy: 1.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -1918.505480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.505480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.138438 (E_RNA)
where:
Base-Base interactions energy: -1338.928
where: short stacking energy: -568.409
Base-Backbone interact. energy: 0.422
local terms energy: -583.632888
where:
bonds (distance) C4'-P energy: -93.552
bonds (distance) P-C4' energy: -121.390
flat angles C4'-P-C4' energy: -139.922
flat angles P-C4'-P energy: -85.273
tors. eta vs tors. theta energy: -143.495
Dist. restrs. and SS energy: 3.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -1881.446643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.446643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.217065 (E_RNA)
where:
Base-Base interactions energy: -1251.795
where: short stacking energy: -517.079
Base-Backbone interact. energy: -3.247
local terms energy: -631.174932
where:
bonds (distance) C4'-P energy: -135.209
bonds (distance) P-C4' energy: -132.361
flat angles C4'-P-C4' energy: -134.757
flat angles P-C4'-P energy: -88.670
tors. eta vs tors. theta energy: -140.178
Dist. restrs. and SS energy: 4.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -2945.726070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2945.726070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2948.284058 (E_RNA)
where:
Base-Base interactions energy: -2081.264
where: short stacking energy: -859.532
Base-Backbone interact. energy: 2.353
local terms energy: -869.373438
where:
bonds (distance) C4'-P energy: -140.975
bonds (distance) P-C4' energy: -168.649
flat angles C4'-P-C4' energy: -185.263
flat angles P-C4'-P energy: -127.032
tors. eta vs tors. theta energy: -247.454
Dist. restrs. and SS energy: 2.558 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -2760.281112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2760.281112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.670851 (E_RNA)
where:
Base-Base interactions energy: -1939.379
where: short stacking energy: -788.100
Base-Backbone interact. energy: 1.153
local terms energy: -823.445298
where:
bonds (distance) C4'-P energy: -134.395
bonds (distance) P-C4' energy: -161.580
flat angles C4'-P-C4' energy: -172.461
flat angles P-C4'-P energy: -136.707
tors. eta vs tors. theta energy: -218.302
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: 10
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -2685.705801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.705801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.523158 (E_RNA)
where:
Base-Base interactions energy: -1858.661
where: short stacking energy: -763.728
Base-Backbone interact. energy: 1.603
local terms energy: -830.465152
where:
bonds (distance) C4'-P energy: -148.246
bonds (distance) P-C4' energy: -153.855
flat angles C4'-P-C4' energy: -179.875
flat angles P-C4'-P energy: -116.904
tors. eta vs tors. theta energy: -231.586
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: 4, replica: 9
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -2636.585554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.585554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.623412 (E_RNA)
where:
Base-Base interactions energy: -1832.096
where: short stacking energy: -743.558
Base-Backbone interact. energy: 3.045
local terms energy: -809.572878
where:
bonds (distance) C4'-P energy: -143.317
bonds (distance) P-C4' energy: -151.921
flat angles C4'-P-C4' energy: -181.568
flat angles P-C4'-P energy: -117.827
tors. eta vs tors. theta energy: -214.940
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: 5, replica: 6
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -2409.819796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.819796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.535323 (E_RNA)
where:
Base-Base interactions energy: -1662.541
where: short stacking energy: -722.850
Base-Backbone interact. energy: -0.137
local terms energy: -748.857883
where:
bonds (distance) C4'-P energy: -129.172
bonds (distance) P-C4' energy: -154.253
flat angles C4'-P-C4' energy: -159.089
flat angles P-C4'-P energy: -107.381
tors. eta vs tors. theta energy: -198.963
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: 6, replica: 3
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -2362.429803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.429803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.901180 (E_RNA)
where:
Base-Base interactions energy: -1636.872
where: short stacking energy: -696.929
Base-Backbone interact. energy: 3.232
local terms energy: -731.261311
where:
bonds (distance) C4'-P energy: -136.762
bonds (distance) P-C4' energy: -124.676
flat angles C4'-P-C4' energy: -164.739
flat angles P-C4'-P energy: -121.489
tors. eta vs tors. theta energy: -183.596
Dist. restrs. and SS energy: 2.471 (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: 444
Temperature: 1.200000
Total energy: -2208.506792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.506792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.579521 (E_RNA)
where:
Base-Base interactions energy: -1490.408
where: short stacking energy: -631.689
Base-Backbone interact. energy: 0.301
local terms energy: -720.473250
where:
bonds (distance) C4'-P energy: -125.354
bonds (distance) P-C4' energy: -157.910
flat angles C4'-P-C4' energy: -162.277
flat angles P-C4'-P energy: -96.208
tors. eta vs tors. theta energy: -178.724
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: 8, replica: 5
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -1998.084589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.084589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.511668 (E_RNA)
where:
Base-Base interactions energy: -1377.685
where: short stacking energy: -582.581
Base-Backbone interact. energy: -1.135
local terms energy: -621.692081
where:
bonds (distance) C4'-P energy: -137.761
bonds (distance) P-C4' energy: -126.187
flat angles C4'-P-C4' energy: -134.366
flat angles P-C4'-P energy: -83.817
tors. eta vs tors. theta energy: -139.561
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: 9, replica: 4
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -1916.951713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.951713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.029443 (E_RNA)
where:
Base-Base interactions energy: -1329.572
where: short stacking energy: -545.951
Base-Backbone interact. energy: -1.783
local terms energy: -588.674244
where:
bonds (distance) C4'-P energy: -117.273
bonds (distance) P-C4' energy: -119.657
flat angles C4'-P-C4' energy: -140.151
flat angles P-C4'-P energy: -73.601
tors. eta vs tors. theta energy: -137.993
Dist. restrs. and SS energy: 3.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -1875.581458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.581458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.024602 (E_RNA)
where:
Base-Base interactions energy: -1259.736
where: short stacking energy: -542.521
Base-Backbone interact. energy: 1.466
local terms energy: -620.754718
where:
bonds (distance) C4'-P energy: -121.698
bonds (distance) P-C4' energy: -133.315
flat angles C4'-P-C4' energy: -135.771
flat angles P-C4'-P energy: -90.942
tors. eta vs tors. theta energy: -139.029
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: 1, replica: 7
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -2966.190087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2966.190087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2969.459612 (E_RNA)
where:
Base-Base interactions energy: -2093.277
where: short stacking energy: -879.750
Base-Backbone interact. energy: -1.904
local terms energy: -874.279391
where:
bonds (distance) C4'-P energy: -143.696
bonds (distance) P-C4' energy: -158.954
flat angles C4'-P-C4' energy: -194.893
flat angles P-C4'-P energy: -126.080
tors. eta vs tors. theta energy: -250.656
Dist. restrs. and SS energy: 3.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -2809.731836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.731836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.741392 (E_RNA)
where:
Base-Base interactions energy: -1943.642
where: short stacking energy: -820.959
Base-Backbone interact. energy: -2.556
local terms energy: -865.543068
where:
bonds (distance) C4'-P energy: -151.862
bonds (distance) P-C4' energy: -165.692
flat angles C4'-P-C4' energy: -185.769
flat angles P-C4'-P energy: -125.546
tors. eta vs tors. theta energy: -236.673
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: 10
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -2707.069954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.069954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.354386 (E_RNA)
where:
Base-Base interactions energy: -1852.090
where: short stacking energy: -749.166
Base-Backbone interact. energy: 0.492
local terms energy: -856.756286
where:
bonds (distance) C4'-P energy: -159.417
bonds (distance) P-C4' energy: -153.383
flat angles C4'-P-C4' energy: -189.891
flat angles P-C4'-P energy: -127.281
tors. eta vs tors. theta energy: -226.784
Dist. restrs. and SS energy: 1.284 (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: 9
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -2623.268063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.268063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.920908 (E_RNA)
where:
Base-Base interactions energy: -1809.869
where: short stacking energy: -755.207
Base-Backbone interact. energy: -5.422
local terms energy: -809.629819
where:
bonds (distance) C4'-P energy: -148.249
bonds (distance) P-C4' energy: -159.013
flat angles C4'-P-C4' energy: -182.267
flat angles P-C4'-P energy: -100.631
tors. eta vs tors. theta energy: -219.470
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: 5, replica: 6
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -2426.809603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.809603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.464584 (E_RNA)
where:
Base-Base interactions energy: -1659.944
where: short stacking energy: -706.659
Base-Backbone interact. energy: -3.603
local terms energy: -765.917843
where:
bonds (distance) C4'-P energy: -142.095
bonds (distance) P-C4' energy: -155.029
flat angles C4'-P-C4' energy: -163.455
flat angles P-C4'-P energy: -99.512
tors. eta vs tors. theta energy: -205.828
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: 3
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -2338.102304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.102304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.708339 (E_RNA)
where:
Base-Base interactions energy: -1612.819
where: short stacking energy: -680.863
Base-Backbone interact. energy: -1.487
local terms energy: -726.402404
where:
bonds (distance) C4'-P energy: -134.950
bonds (distance) P-C4' energy: -139.684
flat angles C4'-P-C4' energy: -166.010
flat angles P-C4'-P energy: -95.149
tors. eta vs tors. theta energy: -190.610
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: 1
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -2179.634859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.634859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.277515 (E_RNA)
where:
Base-Base interactions energy: -1507.947
where: short stacking energy: -632.563
Base-Backbone interact. energy: 2.316
local terms energy: -675.646221
where:
bonds (distance) C4'-P energy: -119.023
bonds (distance) P-C4' energy: -132.829
flat angles C4'-P-C4' energy: -154.144
flat angles P-C4'-P energy: -101.595
tors. eta vs tors. theta energy: -168.056
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: 8, replica: 5
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -1999.372298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.372298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.670738 (E_RNA)
where:
Base-Base interactions energy: -1339.843
where: short stacking energy: -563.543
Base-Backbone interact. energy: -0.502
local terms energy: -662.325919
where:
bonds (distance) C4'-P energy: -136.129
bonds (distance) P-C4' energy: -141.429
flat angles C4'-P-C4' energy: -156.605
flat angles P-C4'-P energy: -98.294
tors. eta vs tors. theta energy: -129.869
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: 9, replica: 4
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -1895.457738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.457738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.346846 (E_RNA)
where:
Base-Base interactions energy: -1262.653
where: short stacking energy: -541.241
Base-Backbone interact. energy: 0.612
local terms energy: -637.305935
where:
bonds (distance) C4'-P energy: -125.587
bonds (distance) P-C4' energy: -134.311
flat angles C4'-P-C4' energy: -146.022
flat angles P-C4'-P energy: -84.818
tors. eta vs tors. theta energy: -146.569
Dist. restrs. and SS energy: 3.889 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -1826.672827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.672827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.972075 (E_RNA)
where:
Base-Base interactions energy: -1247.887
where: short stacking energy: -521.083
Base-Backbone interact. energy: -5.982
local terms energy: -575.102603
where:
bonds (distance) C4'-P energy: -112.536
bonds (distance) P-C4' energy: -133.562
flat angles C4'-P-C4' energy: -133.272
flat angles P-C4'-P energy: -85.578
tors. eta vs tors. theta energy: -110.154
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: 7
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -2965.341684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2965.341684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2968.247920 (E_RNA)
where:
Base-Base interactions energy: -2053.244
where: short stacking energy: -843.336
Base-Backbone interact. energy: -1.813
local terms energy: -913.191109
where:
bonds (distance) C4'-P energy: -171.852
bonds (distance) P-C4' energy: -174.860
flat angles C4'-P-C4' energy: -189.648
flat angles P-C4'-P energy: -126.487
tors. eta vs tors. theta energy: -250.344
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: 2, replica: 2
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -2811.329735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.329735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.463084 (E_RNA)
where:
Base-Base interactions energy: -1965.630
where: short stacking energy: -808.868
Base-Backbone interact. energy: -1.269
local terms energy: -845.564407
where:
bonds (distance) C4'-P energy: -144.658
bonds (distance) P-C4' energy: -168.405
flat angles C4'-P-C4' energy: -175.213
flat angles P-C4'-P energy: -120.313
tors. eta vs tors. theta energy: -236.976
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: 3, replica: 10
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -2706.193278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.193278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.804359 (E_RNA)
where:
Base-Base interactions energy: -1864.544
where: short stacking energy: -774.100
Base-Backbone interact. energy: 0.320
local terms energy: -844.580204
where:
bonds (distance) C4'-P energy: -167.290
bonds (distance) P-C4' energy: -151.328
flat angles C4'-P-C4' energy: -181.650
flat angles P-C4'-P energy: -116.615
tors. eta vs tors. theta energy: -227.697
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: 4, replica: 9
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -2555.060412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.060412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.325957 (E_RNA)
where:
Base-Base interactions energy: -1747.524
where: short stacking energy: -735.187
Base-Backbone interact. energy: -1.077
local terms energy: -807.724772
where:
bonds (distance) C4'-P energy: -151.790
bonds (distance) P-C4' energy: -167.543
flat angles C4'-P-C4' energy: -162.763
flat angles P-C4'-P energy: -106.232
tors. eta vs tors. theta energy: -219.397
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: 6
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -2411.904564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.904564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.493028 (E_RNA)
where:
Base-Base interactions energy: -1663.178
where: short stacking energy: -721.506
Base-Backbone interact. energy: -0.346
local terms energy: -750.969546
where:
bonds (distance) C4'-P energy: -127.208
bonds (distance) P-C4' energy: -138.182
flat angles C4'-P-C4' energy: -166.126
flat angles P-C4'-P energy: -113.811
tors. eta vs tors. theta energy: -205.643
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: 6, replica: 3
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -2324.780030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.780030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.954803 (E_RNA)
where:
Base-Base interactions energy: -1611.965
where: short stacking energy: -664.201
Base-Backbone interact. energy: -3.232
local terms energy: -711.757760
where:
bonds (distance) C4'-P energy: -132.566
bonds (distance) P-C4' energy: -145.122
flat angles C4'-P-C4' energy: -145.124
flat angles P-C4'-P energy: -102.360
tors. eta vs tors. theta energy: -186.587
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: 7, replica: 1
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -2202.098915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.098915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.288157 (E_RNA)
where:
Base-Base interactions energy: -1497.240
where: short stacking energy: -652.141
Base-Backbone interact. energy: -1.598
local terms energy: -705.450112
where:
bonds (distance) C4'-P energy: -151.965
bonds (distance) P-C4' energy: -130.013
flat angles C4'-P-C4' energy: -150.478
flat angles P-C4'-P energy: -89.518
tors. eta vs tors. theta energy: -183.477
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: 8, replica: 5
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -1994.959581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.959581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.469804 (E_RNA)
where:
Base-Base interactions energy: -1356.222
where: short stacking energy: -572.073
Base-Backbone interact. energy: 4.463
local terms energy: -644.711089
where:
bonds (distance) C4'-P energy: -109.143
bonds (distance) P-C4' energy: -140.588
flat angles C4'-P-C4' energy: -158.538
flat angles P-C4'-P energy: -90.083
tors. eta vs tors. theta energy: -146.359
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: 9, replica: 4
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -1964.641674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.641674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.225996 (E_RNA)
where:
Base-Base interactions energy: -1307.248
where: short stacking energy: -536.629
Base-Backbone interact. energy: 0.626
local terms energy: -659.604001
where:
bonds (distance) C4'-P energy: -141.146
bonds (distance) P-C4' energy: -127.636
flat angles C4'-P-C4' energy: -148.013
flat angles P-C4'-P energy: -109.284
tors. eta vs tors. theta energy: -133.525
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: 10, replica: 8
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -1831.861270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.861270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.300845 (E_RNA)
where:
Base-Base interactions energy: -1263.750
where: short stacking energy: -510.591
Base-Backbone interact. energy: -1.063
local terms energy: -569.487890
where:
bonds (distance) C4'-P energy: -104.146
bonds (distance) P-C4' energy: -121.953
flat angles C4'-P-C4' energy: -122.264
flat angles P-C4'-P energy: -84.580
tors. eta vs tors. theta energy: -136.545
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: 1, replica: 7
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -2947.256469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2947.256469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2948.559235 (E_RNA)
where:
Base-Base interactions energy: -2066.536
where: short stacking energy: -848.871
Base-Backbone interact. energy: 3.254
local terms energy: -885.277307
where:
bonds (distance) C4'-P energy: -165.560
bonds (distance) P-C4' energy: -157.214
flat angles C4'-P-C4' energy: -184.274
flat angles P-C4'-P energy: -131.512
tors. eta vs tors. theta energy: -246.717
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: 2, replica: 2
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -2773.975585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.975585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2775.123915 (E_RNA)
where:
Base-Base interactions energy: -1934.574
where: short stacking energy: -811.058
Base-Backbone interact. energy: -6.777
local terms energy: -833.772466
where:
bonds (distance) C4'-P energy: -153.944
bonds (distance) P-C4' energy: -137.025
flat angles C4'-P-C4' energy: -184.850
flat angles P-C4'-P energy: -119.023
tors. eta vs tors. theta energy: -238.930
Dist. restrs. and SS energy: 1.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -2688.983039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.983039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.117350 (E_RNA)
where:
Base-Base interactions energy: -1842.438
where: short stacking energy: -789.988
Base-Backbone interact. energy: 2.934
local terms energy: -851.612743
where:
bonds (distance) C4'-P energy: -160.653
bonds (distance) P-C4' energy: -152.039
flat angles C4'-P-C4' energy: -182.094
flat angles P-C4'-P energy: -128.128
tors. eta vs tors. theta energy: -228.698
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: 9
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -2560.180208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.180208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.933383 (E_RNA)
where:
Base-Base interactions energy: -1761.124
where: short stacking energy: -751.640
Base-Backbone interact. energy: -0.208
local terms energy: -800.601896
where:
bonds (distance) C4'-P energy: -140.953
bonds (distance) P-C4' energy: -149.361
flat angles C4'-P-C4' energy: -167.311
flat angles P-C4'-P energy: -115.317
tors. eta vs tors. theta energy: -227.660
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: 5, replica: 6
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -2400.588715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.588715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.283610 (E_RNA)
where:
Base-Base interactions energy: -1629.366
where: short stacking energy: -709.440
Base-Backbone interact. energy: 3.220
local terms energy: -777.137291
where:
bonds (distance) C4'-P energy: -136.851
bonds (distance) P-C4' energy: -154.386
flat angles C4'-P-C4' energy: -168.284
flat angles P-C4'-P energy: -117.826
tors. eta vs tors. theta energy: -199.791
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: 6, replica: 3
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -2331.627909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.627909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.974898 (E_RNA)
where:
Base-Base interactions energy: -1604.010
where: short stacking energy: -677.383
Base-Backbone interact. energy: 5.724
local terms energy: -736.689256
where:
bonds (distance) C4'-P energy: -125.270
bonds (distance) P-C4' energy: -164.041
flat angles C4'-P-C4' energy: -163.412
flat angles P-C4'-P energy: -101.996
tors. eta vs tors. theta energy: -181.970
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: 7, replica: 1
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -2193.540027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.540027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.456622 (E_RNA)
where:
Base-Base interactions energy: -1530.822
where: short stacking energy: -641.883
Base-Backbone interact. energy: -0.898
local terms energy: -664.736329
where:
bonds (distance) C4'-P energy: -128.171
bonds (distance) P-C4' energy: -130.530
flat angles C4'-P-C4' energy: -149.713
flat angles P-C4'-P energy: -78.518
tors. eta vs tors. theta energy: -177.805
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: 8, replica: 5
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -2004.295530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.295530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.373331 (E_RNA)
where:
Base-Base interactions energy: -1367.583
where: short stacking energy: -591.054
Base-Backbone interact. energy: -3.417
local terms energy: -636.373717
where:
bonds (distance) C4'-P energy: -121.541
bonds (distance) P-C4' energy: -127.571
flat angles C4'-P-C4' energy: -156.737
flat angles P-C4'-P energy: -75.400
tors. eta vs tors. theta energy: -155.124
Dist. restrs. and SS energy: 3.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -1946.560044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.560044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.348276 (E_RNA)
where:
Base-Base interactions energy: -1322.822
where: short stacking energy: -548.793
Base-Backbone interact. energy: -0.853
local terms energy: -626.673950
where:
bonds (distance) C4'-P energy: -116.428
bonds (distance) P-C4' energy: -120.221
flat angles C4'-P-C4' energy: -142.360
flat angles P-C4'-P energy: -95.459
tors. eta vs tors. theta energy: -152.206
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: 10, replica: 8
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -1834.048419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.048419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.393670 (E_RNA)
where:
Base-Base interactions energy: -1289.414
where: short stacking energy: -536.754
Base-Backbone interact. energy: -2.682
local terms energy: -550.297808
where:
bonds (distance) C4'-P energy: -112.976
bonds (distance) P-C4' energy: -96.988
flat angles C4'-P-C4' energy: -145.974
flat angles P-C4'-P energy: -71.753
tors. eta vs tors. theta energy: -122.607
Dist. restrs. and SS energy: 8.345 (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: 7
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -2939.963290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2939.963290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2941.786061 (E_RNA)
where:
Base-Base interactions energy: -2024.055
where: short stacking energy: -853.017
Base-Backbone interact. energy: -6.912
local terms energy: -910.818900
where:
bonds (distance) C4'-P energy: -168.014
bonds (distance) P-C4' energy: -170.968
flat angles C4'-P-C4' energy: -183.363
flat angles P-C4'-P energy: -133.849
tors. eta vs tors. theta energy: -254.625
Dist. restrs. and SS energy: 1.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -2802.870979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.870979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.374338 (E_RNA)
where:
Base-Base interactions energy: -1938.425
where: short stacking energy: -803.065
Base-Backbone interact. energy: -1.763
local terms energy: -865.186067
where:
bonds (distance) C4'-P energy: -157.592
bonds (distance) P-C4' energy: -168.386
flat angles C4'-P-C4' energy: -174.531
flat angles P-C4'-P energy: -123.629
tors. eta vs tors. theta energy: -241.047
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: 10
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -2697.321068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.321068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.798959 (E_RNA)
where:
Base-Base interactions energy: -1883.139
where: short stacking energy: -776.122
Base-Backbone interact. energy: 2.071
local terms energy: -817.731477
where:
bonds (distance) C4'-P energy: -159.935
bonds (distance) P-C4' energy: -143.335
flat angles C4'-P-C4' energy: -169.984
flat angles P-C4'-P energy: -126.669
tors. eta vs tors. theta energy: -217.809
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: 4, replica: 9
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -2622.015246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.015246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.724362 (E_RNA)
where:
Base-Base interactions energy: -1821.267
where: short stacking energy: -784.018
Base-Backbone interact. energy: -2.644
local terms energy: -800.813381
where:
bonds (distance) C4'-P energy: -145.665
bonds (distance) P-C4' energy: -139.939
flat angles C4'-P-C4' energy: -170.313
flat angles P-C4'-P energy: -115.370
tors. eta vs tors. theta energy: -229.526
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: 5, replica: 6
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -2417.970369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.970369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.526921 (E_RNA)
where:
Base-Base interactions energy: -1664.912
where: short stacking energy: -704.249
Base-Backbone interact. energy: 1.968
local terms energy: -756.583263
where:
bonds (distance) C4'-P energy: -137.087
bonds (distance) P-C4' energy: -158.050
flat angles C4'-P-C4' energy: -154.792
flat angles P-C4'-P energy: -98.297
tors. eta vs tors. theta energy: -208.356
Dist. restrs. and SS energy: 1.557 (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: 3
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -2347.757228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.757228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.106208 (E_RNA)
where:
Base-Base interactions energy: -1613.141
where: short stacking energy: -676.619
Base-Backbone interact. energy: -0.325
local terms energy: -735.640436
where:
bonds (distance) C4'-P energy: -137.970
bonds (distance) P-C4' energy: -141.318
flat angles C4'-P-C4' energy: -165.639
flat angles P-C4'-P energy: -103.208
tors. eta vs tors. theta energy: -187.505
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: 7, replica: 1
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -2177.535537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.535537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.369988 (E_RNA)
where:
Base-Base interactions energy: -1496.913
where: short stacking energy: -634.982
Base-Backbone interact. energy: 2.290
local terms energy: -685.746737
where:
bonds (distance) C4'-P energy: -134.087
bonds (distance) P-C4' energy: -117.250
flat angles C4'-P-C4' energy: -144.160
flat angles P-C4'-P energy: -112.712
tors. eta vs tors. theta energy: -177.538
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: 8, replica: 5
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -2047.807683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.807683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.432503 (E_RNA)
where:
Base-Base interactions energy: -1405.396
where: short stacking energy: -583.843
Base-Backbone interact. energy: -0.929
local terms energy: -643.108019
where:
bonds (distance) C4'-P energy: -120.057
bonds (distance) P-C4' energy: -133.078
flat angles C4'-P-C4' energy: -127.715
flat angles P-C4'-P energy: -95.071
tors. eta vs tors. theta energy: -167.186
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: 9, replica: 4
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -1909.853777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.853777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.251312 (E_RNA)
where:
Base-Base interactions energy: -1321.288
where: short stacking energy: -555.597
Base-Backbone interact. energy: 10.386
local terms energy: -601.348719
where:
bonds (distance) C4'-P energy: -114.850
bonds (distance) P-C4' energy: -121.028
flat angles C4'-P-C4' energy: -138.442
flat angles P-C4'-P energy: -91.264
tors. eta vs tors. theta energy: -135.765
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: 10, replica: 8
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -1839.619499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.619499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.805684 (E_RNA)
where:
Base-Base interactions energy: -1269.761
where: short stacking energy: -527.698
Base-Backbone interact. energy: -2.652
local terms energy: -571.392582
where:
bonds (distance) C4'-P energy: -115.873
bonds (distance) P-C4' energy: -117.311
flat angles C4'-P-C4' energy: -123.606
flat angles P-C4'-P energy: -90.114
tors. eta vs tors. theta energy: -124.488
Dist. restrs. and SS energy: 4.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -2959.198542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2959.198542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2961.077866 (E_RNA)
where:
Base-Base interactions energy: -2079.852
where: short stacking energy: -865.245
Base-Backbone interact. energy: -4.131
local terms energy: -877.095140
where:
bonds (distance) C4'-P energy: -151.116
bonds (distance) P-C4' energy: -170.380
flat angles C4'-P-C4' energy: -185.031
flat angles P-C4'-P energy: -112.324
tors. eta vs tors. theta energy: -258.244
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: 2, replica: 2
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -2834.673880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2834.673880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2837.147665 (E_RNA)
where:
Base-Base interactions energy: -1952.680
where: short stacking energy: -797.971
Base-Backbone interact. energy: -2.798
local terms energy: -881.669134
where:
bonds (distance) C4'-P energy: -154.301
bonds (distance) P-C4' energy: -161.621
flat angles C4'-P-C4' energy: -193.355
flat angles P-C4'-P energy: -121.288
tors. eta vs tors. theta energy: -251.104
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: 10
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -2679.285172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.285172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.506945 (E_RNA)
where:
Base-Base interactions energy: -1828.813
where: short stacking energy: -764.888
Base-Backbone interact. energy: -2.931
local terms energy: -848.763104
where:
bonds (distance) C4'-P energy: -149.263
bonds (distance) P-C4' energy: -164.315
flat angles C4'-P-C4' energy: -190.219
flat angles P-C4'-P energy: -119.692
tors. eta vs tors. theta energy: -225.275
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: 9
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -2602.217084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.217084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.338784 (E_RNA)
where:
Base-Base interactions energy: -1773.037
where: short stacking energy: -759.728
Base-Backbone interact. energy: 0.743
local terms energy: -832.044519
where:
bonds (distance) C4'-P energy: -149.725
bonds (distance) P-C4' energy: -157.919
flat angles C4'-P-C4' energy: -187.967
flat angles P-C4'-P energy: -119.885
tors. eta vs tors. theta energy: -216.549
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: 5, replica: 6
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -2463.362981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.362981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.301220 (E_RNA)
where:
Base-Base interactions energy: -1694.584
where: short stacking energy: -714.907
Base-Backbone interact. energy: 0.248
local terms energy: -770.965997
where:
bonds (distance) C4'-P energy: -131.008
bonds (distance) P-C4' energy: -143.871
flat angles C4'-P-C4' energy: -169.286
flat angles P-C4'-P energy: -112.895
tors. eta vs tors. theta energy: -213.905
Dist. restrs. and SS energy: 1.938 (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: 3
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -2321.569130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.569130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.998841 (E_RNA)
where:
Base-Base interactions energy: -1603.922
where: short stacking energy: -677.394
Base-Backbone interact. energy: 2.490
local terms energy: -722.566300
where:
bonds (distance) C4'-P energy: -118.877
bonds (distance) P-C4' energy: -142.585
flat angles C4'-P-C4' energy: -157.417
flat angles P-C4'-P energy: -117.628
tors. eta vs tors. theta energy: -186.060
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: 7, replica: 1
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -2264.909322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.909322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.495060 (E_RNA)
where:
Base-Base interactions energy: -1547.301
where: short stacking energy: -662.317
Base-Backbone interact. energy: -3.813
local terms energy: -718.381375
where:
bonds (distance) C4'-P energy: -138.312
bonds (distance) P-C4' energy: -133.896
flat angles C4'-P-C4' energy: -162.395
flat angles P-C4'-P energy: -101.428
tors. eta vs tors. theta energy: -182.351
Dist. restrs. and SS energy: 4.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -2028.380318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.380318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.780074 (E_RNA)
where:
Base-Base interactions energy: -1370.598
where: short stacking energy: -599.062
Base-Backbone interact. energy: 0.104
local terms energy: -660.286104
where:
bonds (distance) C4'-P energy: -106.435
bonds (distance) P-C4' energy: -152.783
flat angles C4'-P-C4' energy: -144.393
flat angles P-C4'-P energy: -98.366
tors. eta vs tors. theta energy: -158.309
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: 9, replica: 4
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -1894.717671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.717671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.224224 (E_RNA)
where:
Base-Base interactions energy: -1279.346
where: short stacking energy: -522.438
Base-Backbone interact. energy: -2.093
local terms energy: -616.784847
where:
bonds (distance) C4'-P energy: -126.407
bonds (distance) P-C4' energy: -135.922
flat angles C4'-P-C4' energy: -143.196
flat angles P-C4'-P energy: -77.053
tors. eta vs tors. theta energy: -134.207
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: 10, replica: 8
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -1837.743619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.743619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.388089 (E_RNA)
where:
Base-Base interactions energy: -1260.717
where: short stacking energy: -523.328
Base-Backbone interact. energy: -2.690
local terms energy: -576.981511
where:
bonds (distance) C4'-P energy: -117.374
bonds (distance) P-C4' energy: -115.756
flat angles C4'-P-C4' energy: -126.342
flat angles P-C4'-P energy: -89.302
tors. eta vs tors. theta energy: -128.208
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: 1, replica: 7
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -2944.996294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2944.996294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2948.000645 (E_RNA)
where:
Base-Base interactions energy: -2060.627
where: short stacking energy: -864.731
Base-Backbone interact. energy: 0.482
local terms energy: -887.855002
where:
bonds (distance) C4'-P energy: -162.289
bonds (distance) P-C4' energy: -161.284
flat angles C4'-P-C4' energy: -186.386
flat angles P-C4'-P energy: -121.430
tors. eta vs tors. theta energy: -256.466
Dist. restrs. and SS energy: 3.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -2832.518972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.518972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.444640 (E_RNA)
where:
Base-Base interactions energy: -1991.758
where: short stacking energy: -791.657
Base-Backbone interact. energy: 4.373
local terms energy: -848.059997
where:
bonds (distance) C4'-P energy: -145.883
bonds (distance) P-C4' energy: -160.385
flat angles C4'-P-C4' energy: -191.350
flat angles P-C4'-P energy: -112.544
tors. eta vs tors. theta energy: -237.899
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: 3, replica: 10
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -2666.747628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.747628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.073595 (E_RNA)
where:
Base-Base interactions energy: -1850.716
where: short stacking energy: -763.383
Base-Backbone interact. energy: -0.010
local terms energy: -817.348070
where:
bonds (distance) C4'-P energy: -155.176
bonds (distance) P-C4' energy: -165.224
flat angles C4'-P-C4' energy: -176.935
flat angles P-C4'-P energy: -101.349
tors. eta vs tors. theta energy: -218.664
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: 4, replica: 9
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -2585.923879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.923879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.169370 (E_RNA)
where:
Base-Base interactions energy: -1787.005
where: short stacking energy: -751.583
Base-Backbone interact. energy: 3.047
local terms energy: -804.211530
where:
bonds (distance) C4'-P energy: -145.725
bonds (distance) P-C4' energy: -139.861
flat angles C4'-P-C4' energy: -167.103
flat angles P-C4'-P energy: -126.211
tors. eta vs tors. theta energy: -225.312
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: 5, replica: 6
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -2457.093664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.093664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.298367 (E_RNA)
where:
Base-Base interactions energy: -1705.592
where: short stacking energy: -712.187
Base-Backbone interact. energy: 3.635
local terms energy: -756.340492
where:
bonds (distance) C4'-P energy: -137.824
bonds (distance) P-C4' energy: -134.993
flat angles C4'-P-C4' energy: -173.164
flat angles P-C4'-P energy: -104.738
tors. eta vs tors. theta energy: -205.622
Dist. restrs. and SS energy: 1.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -2355.673357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.673357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.154259 (E_RNA)
where:
Base-Base interactions energy: -1620.132
where: short stacking energy: -675.836
Base-Backbone interact. energy: 1.582
local terms energy: -738.604058
where:
bonds (distance) C4'-P energy: -121.455
bonds (distance) P-C4' energy: -162.765
flat angles C4'-P-C4' energy: -157.626
flat angles P-C4'-P energy: -107.961
tors. eta vs tors. theta energy: -188.797
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: 7, replica: 1
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -2266.405534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.405534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.100490 (E_RNA)
where:
Base-Base interactions energy: -1532.467
where: short stacking energy: -647.175
Base-Backbone interact. energy: 2.148
local terms energy: -737.780961
where:
bonds (distance) C4'-P energy: -149.733
bonds (distance) P-C4' energy: -134.481
flat angles C4'-P-C4' energy: -164.970
flat angles P-C4'-P energy: -100.925
tors. eta vs tors. theta energy: -187.672
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: 8, replica: 5
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -1992.424681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.424681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.568217 (E_RNA)
where:
Base-Base interactions energy: -1360.665
where: short stacking energy: -597.970
Base-Backbone interact. energy: 0.819
local terms energy: -634.721520
where:
bonds (distance) C4'-P energy: -100.995
bonds (distance) P-C4' energy: -129.162
flat angles C4'-P-C4' energy: -163.379
flat angles P-C4'-P energy: -79.027
tors. eta vs tors. theta energy: -162.159
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: 9, replica: 4
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -1923.731501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.731501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.386570 (E_RNA)
where:
Base-Base interactions energy: -1299.478
where: short stacking energy: -562.191
Base-Backbone interact. energy: 1.651
local terms energy: -631.559689
where:
bonds (distance) C4'-P energy: -111.985
bonds (distance) P-C4' energy: -139.886
flat angles C4'-P-C4' energy: -129.493
flat angles P-C4'-P energy: -93.777
tors. eta vs tors. theta energy: -156.419
Dist. restrs. and SS energy: 5.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -1856.368021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.368021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.484377 (E_RNA)
where:
Base-Base interactions energy: -1300.949
where: short stacking energy: -544.653
Base-Backbone interact. energy: -1.148
local terms energy: -557.387178
where:
bonds (distance) C4'-P energy: -112.008
bonds (distance) P-C4' energy: -134.887
flat angles C4'-P-C4' energy: -126.291
flat angles P-C4'-P energy: -72.518
tors. eta vs tors. theta energy: -111.684
Dist. restrs. and SS energy: 3.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -2927.678480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2927.678480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2928.340498 (E_RNA)
where:
Base-Base interactions energy: -2023.249
where: short stacking energy: -843.437
Base-Backbone interact. energy: -1.865
local terms energy: -903.226650
where:
bonds (distance) C4'-P energy: -169.367
bonds (distance) P-C4' energy: -169.982
flat angles C4'-P-C4' energy: -187.652
flat angles P-C4'-P energy: -122.747
tors. eta vs tors. theta energy: -253.479
Dist. restrs. and SS energy: 0.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -2816.613789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.613789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.958768 (E_RNA)
where:
Base-Base interactions energy: -1988.841
where: short stacking energy: -837.828
Base-Backbone interact. energy: -4.022
local terms energy: -825.095994
where:
bonds (distance) C4'-P energy: -140.475
bonds (distance) P-C4' energy: -152.739
flat angles C4'-P-C4' energy: -174.397
flat angles P-C4'-P energy: -111.251
tors. eta vs tors. theta energy: -246.233
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: 3, replica: 10
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -2670.063679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.063679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.697448 (E_RNA)
where:
Base-Base interactions energy: -1858.234
where: short stacking energy: -768.126
Base-Backbone interact. energy: -5.674
local terms energy: -808.790014
where:
bonds (distance) C4'-P energy: -156.302
bonds (distance) P-C4' energy: -138.657
flat angles C4'-P-C4' energy: -184.072
flat angles P-C4'-P energy: -113.370
tors. eta vs tors. theta energy: -216.389
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: 9
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -2631.589597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.589597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.534253 (E_RNA)
where:
Base-Base interactions energy: -1819.551
where: short stacking energy: -782.751
Base-Backbone interact. energy: -1.334
local terms energy: -812.649376
where:
bonds (distance) C4'-P energy: -133.553
bonds (distance) P-C4' energy: -158.287
flat angles C4'-P-C4' energy: -171.952
flat angles P-C4'-P energy: -117.237
tors. eta vs tors. theta energy: -231.620
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: 5, replica: 6
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -2462.543149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.543149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.850467 (E_RNA)
where:
Base-Base interactions energy: -1702.572
where: short stacking energy: -719.321
Base-Backbone interact. energy: 2.713
local terms energy: -763.991531
where:
bonds (distance) C4'-P energy: -144.227
bonds (distance) P-C4' energy: -117.273
flat angles C4'-P-C4' energy: -168.744
flat angles P-C4'-P energy: -115.836
tors. eta vs tors. theta energy: -217.911
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: 6, replica: 3
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -2374.360932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.360932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.903398 (E_RNA)
where:
Base-Base interactions energy: -1616.123
where: short stacking energy: -678.388
Base-Backbone interact. energy: -2.177
local terms energy: -758.602859
where:
bonds (distance) C4'-P energy: -143.176
bonds (distance) P-C4' energy: -154.722
flat angles C4'-P-C4' energy: -167.933
flat angles P-C4'-P energy: -88.170
tors. eta vs tors. theta energy: -204.601
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: 451
Temperature: 1.200000
Total energy: -2175.158734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.158734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.892029 (E_RNA)
where:
Base-Base interactions energy: -1461.231
where: short stacking energy: -602.074
Base-Backbone interact. energy: -1.415
local terms energy: -714.245323
where:
bonds (distance) C4'-P energy: -132.910
bonds (distance) P-C4' energy: -133.872
flat angles C4'-P-C4' energy: -163.600
flat angles P-C4'-P energy: -107.942
tors. eta vs tors. theta energy: -175.922
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: 8, replica: 4
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -1990.230290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.230290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.595172 (E_RNA)
where:
Base-Base interactions energy: -1325.361
where: short stacking energy: -583.541
Base-Backbone interact. energy: 0.693
local terms energy: -668.926319
where:
bonds (distance) C4'-P energy: -141.469
bonds (distance) P-C4' energy: -133.993
flat angles C4'-P-C4' energy: -154.127
flat angles P-C4'-P energy: -88.800
tors. eta vs tors. theta energy: -150.537
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: 9, replica: 5
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -1927.492343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.492343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.990359 (E_RNA)
where:
Base-Base interactions energy: -1309.968
where: short stacking energy: -530.697
Base-Backbone interact. energy: -0.923
local terms energy: -620.099474
where:
bonds (distance) C4'-P energy: -103.949
bonds (distance) P-C4' energy: -147.592
flat angles C4'-P-C4' energy: -162.989
flat angles P-C4'-P energy: -78.239
tors. eta vs tors. theta energy: -127.331
Dist. restrs. and SS energy: 3.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -1785.182524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.182524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.543020 (E_RNA)
where:
Base-Base interactions energy: -1241.607
where: short stacking energy: -509.869
Base-Backbone interact. energy: 3.238
local terms energy: -549.173295
where:
bonds (distance) C4'-P energy: -111.478
bonds (distance) P-C4' energy: -143.099
flat angles C4'-P-C4' energy: -117.963
flat angles P-C4'-P energy: -63.676
tors. eta vs tors. theta energy: -112.959
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: 1, replica: 7
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -2978.991354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2978.991354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2980.395728 (E_RNA)
where:
Base-Base interactions energy: -2077.016
where: short stacking energy: -856.096
Base-Backbone interact. energy: -3.468
local terms energy: -899.911166
where:
bonds (distance) C4'-P energy: -160.562
bonds (distance) P-C4' energy: -164.948
flat angles C4'-P-C4' energy: -185.581
flat angles P-C4'-P energy: -132.967
tors. eta vs tors. theta energy: -255.853
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: 2, replica: 2
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -2848.777049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2848.777049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2851.759060 (E_RNA)
where:
Base-Base interactions energy: -1983.506
where: short stacking energy: -840.279
Base-Backbone interact. energy: -1.697
local terms energy: -866.555853
where:
bonds (distance) C4'-P energy: -145.414
bonds (distance) P-C4' energy: -166.250
flat angles C4'-P-C4' energy: -180.449
flat angles P-C4'-P energy: -134.804
tors. eta vs tors. theta energy: -239.639
Dist. restrs. and SS energy: 2.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -2684.170347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.170347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.305411 (E_RNA)
where:
Base-Base interactions energy: -1865.601
where: short stacking energy: -775.729
Base-Backbone interact. energy: 5.073
local terms energy: -825.776725
where:
bonds (distance) C4'-P energy: -148.316
bonds (distance) P-C4' energy: -167.706
flat angles C4'-P-C4' energy: -175.868
flat angles P-C4'-P energy: -116.635
tors. eta vs tors. theta energy: -217.253
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: 4, replica: 9
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -2616.535657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.535657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.750381 (E_RNA)
where:
Base-Base interactions energy: -1804.679
where: short stacking energy: -763.877
Base-Backbone interact. energy: -2.296
local terms energy: -810.775203
where:
bonds (distance) C4'-P energy: -126.199
bonds (distance) P-C4' energy: -162.160
flat angles C4'-P-C4' energy: -176.790
flat angles P-C4'-P energy: -111.956
tors. eta vs tors. theta energy: -233.671
Dist. restrs. and SS energy: 1.215 (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: 3
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -2466.927171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.927171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.604297 (E_RNA)
where:
Base-Base interactions energy: -1685.030
where: short stacking energy: -731.389
Base-Backbone interact. energy: 0.455
local terms energy: -786.029348
where:
bonds (distance) C4'-P energy: -149.097
bonds (distance) P-C4' energy: -135.570
flat angles C4'-P-C4' energy: -165.118
flat angles P-C4'-P energy: -125.341
tors. eta vs tors. theta energy: -210.903
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: 6, replica: 6
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -2381.143701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.143701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.271430 (E_RNA)
where:
Base-Base interactions energy: -1642.309
where: short stacking energy: -728.540
Base-Backbone interact. energy: -1.214
local terms energy: -740.748389
where:
bonds (distance) C4'-P energy: -137.628
bonds (distance) P-C4' energy: -123.595
flat angles C4'-P-C4' energy: -151.572
flat angles P-C4'-P energy: -123.917
tors. eta vs tors. theta energy: -204.036
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: 7, replica: 1
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -2169.622712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.622712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.874309 (E_RNA)
where:
Base-Base interactions energy: -1463.721
where: short stacking energy: -616.681
Base-Backbone interact. energy: -2.453
local terms energy: -705.699998
where:
bonds (distance) C4'-P energy: -134.108
bonds (distance) P-C4' energy: -154.140
flat angles C4'-P-C4' energy: -137.835
flat angles P-C4'-P energy: -109.295
tors. eta vs tors. theta energy: -170.322
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: 8, replica: 4
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -1990.130154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.130154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.197988 (E_RNA)
where:
Base-Base interactions energy: -1388.877
where: short stacking energy: -579.710
Base-Backbone interact. energy: 6.731
local terms energy: -611.052043
where:
bonds (distance) C4'-P energy: -109.324
bonds (distance) P-C4' energy: -116.370
flat angles C4'-P-C4' energy: -149.646
flat angles P-C4'-P energy: -86.624
tors. eta vs tors. theta energy: -149.088
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: 9, replica: 5
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -1956.700913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.700913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.547861 (E_RNA)
where:
Base-Base interactions energy: -1327.399
where: short stacking energy: -548.264
Base-Backbone interact. energy: -3.220
local terms energy: -628.928423
where:
bonds (distance) C4'-P energy: -113.836
bonds (distance) P-C4' energy: -114.509
flat angles C4'-P-C4' energy: -152.076
flat angles P-C4'-P energy: -108.618
tors. eta vs tors. theta energy: -139.891
Dist. restrs. and SS energy: 2.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -1805.304346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.304346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.494323 (E_RNA)
where:
Base-Base interactions energy: -1244.468
where: short stacking energy: -509.910
Base-Backbone interact. energy: 7.182
local terms energy: -576.209107
where:
bonds (distance) C4'-P energy: -101.208
bonds (distance) P-C4' energy: -128.605
flat angles C4'-P-C4' energy: -136.528
flat angles P-C4'-P energy: -87.480
tors. eta vs tors. theta energy: -122.388
Dist. restrs. and SS energy: 8.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -2928.107648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2928.107648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2929.565744 (E_RNA)
where:
Base-Base interactions energy: -2019.991
where: short stacking energy: -831.033
Base-Backbone interact. energy: -2.113
local terms energy: -907.461108
where:
bonds (distance) C4'-P energy: -156.202
bonds (distance) P-C4' energy: -164.038
flat angles C4'-P-C4' energy: -193.491
flat angles P-C4'-P energy: -130.350
tors. eta vs tors. theta energy: -263.380
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: 2, replica: 2
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -2846.661505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2846.661505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2848.170566 (E_RNA)
where:
Base-Base interactions energy: -1988.182
where: short stacking energy: -825.466
Base-Backbone interact. energy: -0.979
local terms energy: -859.009627
where:
bonds (distance) C4'-P energy: -148.686
bonds (distance) P-C4' energy: -153.675
flat angles C4'-P-C4' energy: -177.420
flat angles P-C4'-P energy: -127.527
tors. eta vs tors. theta energy: -251.702
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: 3, replica: 10
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -2682.826206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.826206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.165582 (E_RNA)
where:
Base-Base interactions energy: -1851.781
where: short stacking energy: -774.926
Base-Backbone interact. energy: -1.792
local terms energy: -830.592622
where:
bonds (distance) C4'-P energy: -161.808
bonds (distance) P-C4' energy: -151.257
flat angles C4'-P-C4' energy: -178.319
flat angles P-C4'-P energy: -121.979
tors. eta vs tors. theta energy: -217.230
Dist. restrs. and SS energy: 1.339 (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: 9
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -2644.711502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.711502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.000643 (E_RNA)
where:
Base-Base interactions energy: -1807.801
where: short stacking energy: -742.292
Base-Backbone interact. energy: -2.727
local terms energy: -835.472844
where:
bonds (distance) C4'-P energy: -153.536
bonds (distance) P-C4' energy: -162.231
flat angles C4'-P-C4' energy: -171.695
flat angles P-C4'-P energy: -124.430
tors. eta vs tors. theta energy: -223.580
Dist. restrs. and SS energy: 1.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -2449.138903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.138903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.577640 (E_RNA)
where:
Base-Base interactions energy: -1698.259
where: short stacking energy: -721.452
Base-Backbone interact. energy: -0.973
local terms energy: -752.345245
where:
bonds (distance) C4'-P energy: -124.456
bonds (distance) P-C4' energy: -146.381
flat angles C4'-P-C4' energy: -165.361
flat angles P-C4'-P energy: -113.099
tors. eta vs tors. theta energy: -203.048
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: 6, replica: 6
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -2347.139877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.139877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.723136 (E_RNA)
where:
Base-Base interactions energy: -1621.329
where: short stacking energy: -686.178
Base-Backbone interact. energy: 2.271
local terms energy: -729.664998
where:
bonds (distance) C4'-P energy: -122.819
bonds (distance) P-C4' energy: -144.040
flat angles C4'-P-C4' energy: -162.137
flat angles P-C4'-P energy: -106.420
tors. eta vs tors. theta energy: -194.249
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: 1
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -2189.293420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.293420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.397554 (E_RNA)
where:
Base-Base interactions energy: -1514.024
where: short stacking energy: -643.357
Base-Backbone interact. energy: 0.479
local terms energy: -677.852936
where:
bonds (distance) C4'-P energy: -115.547
bonds (distance) P-C4' energy: -130.117
flat angles C4'-P-C4' energy: -158.153
flat angles P-C4'-P energy: -101.778
tors. eta vs tors. theta energy: -172.258
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: 8, replica: 4
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -2006.820451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.820451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.311593 (E_RNA)
where:
Base-Base interactions energy: -1367.323
where: short stacking energy: -559.541
Base-Backbone interact. energy: 8.218
local terms energy: -650.206593
where:
bonds (distance) C4'-P energy: -136.183
bonds (distance) P-C4' energy: -131.673
flat angles C4'-P-C4' energy: -149.779
flat angles P-C4'-P energy: -87.341
tors. eta vs tors. theta energy: -145.231
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: 5
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -1905.448239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.448239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.649073 (E_RNA)
where:
Base-Base interactions energy: -1303.235
where: short stacking energy: -558.522
Base-Backbone interact. energy: -2.176
local terms energy: -603.237943
where:
bonds (distance) C4'-P energy: -110.583
bonds (distance) P-C4' energy: -124.731
flat angles C4'-P-C4' energy: -135.090
flat angles P-C4'-P energy: -93.299
tors. eta vs tors. theta energy: -139.535
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: 10, replica: 8
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -1863.826317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.826317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.150424 (E_RNA)
where:
Base-Base interactions energy: -1276.144
where: short stacking energy: -539.110
Base-Backbone interact. energy: -0.164
local terms energy: -590.842453
where:
bonds (distance) C4'-P energy: -127.744
bonds (distance) P-C4' energy: -134.769
flat angles C4'-P-C4' energy: -118.688
flat angles P-C4'-P energy: -78.211
tors. eta vs tors. theta energy: -131.430
Dist. restrs. and SS energy: 3.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -2895.341983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2895.341983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2897.301530 (E_RNA)
where:
Base-Base interactions energy: -2012.743
where: short stacking energy: -843.558
Base-Backbone interact. energy: -1.665
local terms energy: -882.893793
where:
bonds (distance) C4'-P energy: -157.863
bonds (distance) P-C4' energy: -158.342
flat angles C4'-P-C4' energy: -178.161
flat angles P-C4'-P energy: -132.017
tors. eta vs tors. theta energy: -256.511
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: 2
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -2809.649154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.649154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.394899 (E_RNA)
where:
Base-Base interactions energy: -1937.388
where: short stacking energy: -794.357
Base-Backbone interact. energy: -4.714
local terms energy: -869.293585
where:
bonds (distance) C4'-P energy: -155.458
bonds (distance) P-C4' energy: -162.417
flat angles C4'-P-C4' energy: -182.454
flat angles P-C4'-P energy: -116.552
tors. eta vs tors. theta energy: -252.412
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: 3, replica: 10
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -2703.510475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.510475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.165519 (E_RNA)
where:
Base-Base interactions energy: -1868.778
where: short stacking energy: -797.154
Base-Backbone interact. energy: 5.377
local terms energy: -841.765411
where:
bonds (distance) C4'-P energy: -151.943
bonds (distance) P-C4' energy: -169.287
flat angles C4'-P-C4' energy: -175.527
flat angles P-C4'-P energy: -115.461
tors. eta vs tors. theta energy: -229.548
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: 9
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -2617.353895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.353895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.327180 (E_RNA)
where:
Base-Base interactions energy: -1814.624
where: short stacking energy: -757.514
Base-Backbone interact. energy: -1.805
local terms energy: -801.898742
where:
bonds (distance) C4'-P energy: -156.403
bonds (distance) P-C4' energy: -124.647
flat angles C4'-P-C4' energy: -174.044
flat angles P-C4'-P energy: -116.696
tors. eta vs tors. theta energy: -230.108
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: 5, replica: 3
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -2474.458327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.458327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.097245 (E_RNA)
where:
Base-Base interactions energy: -1691.651
where: short stacking energy: -725.423
Base-Backbone interact. energy: -1.908
local terms energy: -783.537793
where:
bonds (distance) C4'-P energy: -153.562
bonds (distance) P-C4' energy: -137.235
flat angles C4'-P-C4' energy: -169.636
flat angles P-C4'-P energy: -105.989
tors. eta vs tors. theta energy: -217.116
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: 6, replica: 6
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -2354.665745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.665745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.490862 (E_RNA)
where:
Base-Base interactions energy: -1614.980
where: short stacking energy: -684.094
Base-Backbone interact. energy: 9.346
local terms energy: -750.857056
where:
bonds (distance) C4'-P energy: -145.404
bonds (distance) P-C4' energy: -139.359
flat angles C4'-P-C4' energy: -165.035
flat angles P-C4'-P energy: -105.658
tors. eta vs tors. theta energy: -195.400
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: 454
Temperature: 1.200000
Total energy: -2185.688644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.688644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.266912 (E_RNA)
where:
Base-Base interactions energy: -1488.248
where: short stacking energy: -641.168
Base-Backbone interact. energy: 1.371
local terms energy: -701.389601
where:
bonds (distance) C4'-P energy: -134.516
bonds (distance) P-C4' energy: -138.589
flat angles C4'-P-C4' energy: -162.356
flat angles P-C4'-P energy: -103.872
tors. eta vs tors. theta energy: -162.056
Dist. restrs. and SS energy: 2.578 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -2002.148260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.148260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.588782 (E_RNA)
where:
Base-Base interactions energy: -1342.234
where: short stacking energy: -555.350
Base-Backbone interact. energy: -1.307
local terms energy: -662.048045
where:
bonds (distance) C4'-P energy: -126.134
bonds (distance) P-C4' energy: -151.446
flat angles C4'-P-C4' energy: -131.596
flat angles P-C4'-P energy: -100.934
tors. eta vs tors. theta energy: -151.938
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: 9, replica: 5
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -1929.922112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.922112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.877473 (E_RNA)
where:
Base-Base interactions energy: -1348.032
where: short stacking energy: -540.749
Base-Backbone interact. energy: -2.219
local terms energy: -582.626363
where:
bonds (distance) C4'-P energy: -122.743
bonds (distance) P-C4' energy: -118.425
flat angles C4'-P-C4' energy: -135.810
flat angles P-C4'-P energy: -87.663
tors. eta vs tors. theta energy: -117.986
Dist. restrs. and SS energy: 2.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -1874.066258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.066258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.125144 (E_RNA)
where:
Base-Base interactions energy: -1262.256
where: short stacking energy: -500.846
Base-Backbone interact. energy: -1.495
local terms energy: -613.373459
where:
bonds (distance) C4'-P energy: -120.192
bonds (distance) P-C4' energy: -133.008
flat angles C4'-P-C4' energy: -141.525
flat angles P-C4'-P energy: -91.219
tors. eta vs tors. theta energy: -127.429
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: 1, replica: 7
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -2928.143113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2928.143113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2929.549358 (E_RNA)
where:
Base-Base interactions energy: -2027.446
where: short stacking energy: -840.679
Base-Backbone interact. energy: -5.498
local terms energy: -896.605369
where:
bonds (distance) C4'-P energy: -154.098
bonds (distance) P-C4' energy: -168.968
flat angles C4'-P-C4' energy: -177.428
flat angles P-C4'-P energy: -128.630
tors. eta vs tors. theta energy: -267.481
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: 2, replica: 2
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -2879.096949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2879.096949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2881.714947 (E_RNA)
where:
Base-Base interactions energy: -2016.295
where: short stacking energy: -857.048
Base-Backbone interact. energy: -2.568
local terms energy: -862.851890
where:
bonds (distance) C4'-P energy: -146.609
bonds (distance) P-C4' energy: -166.238
flat angles C4'-P-C4' energy: -174.981
flat angles P-C4'-P energy: -128.380
tors. eta vs tors. theta energy: -246.644
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: 3, replica: 10
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -2674.308302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.308302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.694958 (E_RNA)
where:
Base-Base interactions energy: -1839.137
where: short stacking energy: -774.100
Base-Backbone interact. energy: -2.858
local terms energy: -833.700107
where:
bonds (distance) C4'-P energy: -150.981
bonds (distance) P-C4' energy: -166.982
flat angles C4'-P-C4' energy: -170.668
flat angles P-C4'-P energy: -106.376
tors. eta vs tors. theta energy: -238.694
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: 9
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -2615.580140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.580140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.568880 (E_RNA)
where:
Base-Base interactions energy: -1796.308
where: short stacking energy: -761.360
Base-Backbone interact. energy: -4.139
local terms energy: -817.122037
where:
bonds (distance) C4'-P energy: -161.790
bonds (distance) P-C4' energy: -144.549
flat angles C4'-P-C4' energy: -178.151
flat angles P-C4'-P energy: -112.541
tors. eta vs tors. theta energy: -220.092
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: 5, replica: 3
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -2465.838404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.838404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.257292 (E_RNA)
where:
Base-Base interactions energy: -1695.826
where: short stacking energy: -723.397
Base-Backbone interact. energy: 0.606
local terms energy: -773.037334
where:
bonds (distance) C4'-P energy: -149.350
bonds (distance) P-C4' energy: -149.030
flat angles C4'-P-C4' energy: -169.494
flat angles P-C4'-P energy: -106.328
tors. eta vs tors. theta energy: -198.834
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: 6, replica: 6
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -2331.206438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.206438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.935145 (E_RNA)
where:
Base-Base interactions energy: -1619.919
where: short stacking energy: -696.887
Base-Backbone interact. energy: 8.877
local terms energy: -723.893268
where:
bonds (distance) C4'-P energy: -138.649
bonds (distance) P-C4' energy: -129.139
flat angles C4'-P-C4' energy: -159.307
flat angles P-C4'-P energy: -100.635
tors. eta vs tors. theta energy: -196.163
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: 7, replica: 1
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -2165.070213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.070213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.010024 (E_RNA)
where:
Base-Base interactions energy: -1448.657
where: short stacking energy: -613.390
Base-Backbone interact. energy: 1.440
local terms energy: -719.792990
where:
bonds (distance) C4'-P energy: -151.008
bonds (distance) P-C4' energy: -141.257
flat angles C4'-P-C4' energy: -155.387
flat angles P-C4'-P energy: -96.029
tors. eta vs tors. theta energy: -176.111
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: 8, replica: 4
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -2012.024891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.024891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.778838 (E_RNA)
where:
Base-Base interactions energy: -1342.747
where: short stacking energy: -561.564
Base-Backbone interact. energy: -1.720
local terms energy: -670.312371
where:
bonds (distance) C4'-P energy: -144.372
bonds (distance) P-C4' energy: -137.162
flat angles C4'-P-C4' energy: -149.816
flat angles P-C4'-P energy: -95.407
tors. eta vs tors. theta energy: -143.555
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: 9, replica: 5
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -1911.116073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.116073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.406311 (E_RNA)
where:
Base-Base interactions energy: -1301.194
where: short stacking energy: -542.425
Base-Backbone interact. energy: -0.126
local terms energy: -611.085518
where:
bonds (distance) C4'-P energy: -125.589
bonds (distance) P-C4' energy: -128.679
flat angles C4'-P-C4' energy: -136.702
flat angles P-C4'-P energy: -88.750
tors. eta vs tors. theta energy: -131.366
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: 10, replica: 8
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -1877.075315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.075315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.998868 (E_RNA)
where:
Base-Base interactions energy: -1276.813
where: short stacking energy: -538.292
Base-Backbone interact. energy: -2.654
local terms energy: -601.531838
where:
bonds (distance) C4'-P energy: -108.371
bonds (distance) P-C4' energy: -114.373
flat angles C4'-P-C4' energy: -151.679
flat angles P-C4'-P energy: -87.620
tors. eta vs tors. theta energy: -139.488
Dist. restrs. and SS energy: 3.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -2939.005773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2939.005773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2940.358615 (E_RNA)
where:
Base-Base interactions energy: -2026.228
where: short stacking energy: -842.498
Base-Backbone interact. energy: -2.464
local terms energy: -911.666362
where:
bonds (distance) C4'-P energy: -168.139
bonds (distance) P-C4' energy: -161.747
flat angles C4'-P-C4' energy: -193.699
flat angles P-C4'-P energy: -128.721
tors. eta vs tors. theta energy: -259.361
Dist. restrs. and SS energy: 1.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -2838.027628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2838.027628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2839.604063 (E_RNA)
where:
Base-Base interactions energy: -1973.086
where: short stacking energy: -803.801
Base-Backbone interact. energy: -2.548
local terms energy: -863.970136
where:
bonds (distance) C4'-P energy: -143.019
bonds (distance) P-C4' energy: -164.725
flat angles C4'-P-C4' energy: -185.444
flat angles P-C4'-P energy: -120.297
tors. eta vs tors. theta energy: -250.485
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: 3, replica: 10
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -2666.112701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.112701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.293830 (E_RNA)
where:
Base-Base interactions energy: -1856.747
where: short stacking energy: -778.549
Base-Backbone interact. energy: 0.768
local terms energy: -812.314533
where:
bonds (distance) C4'-P energy: -146.419
bonds (distance) P-C4' energy: -134.997
flat angles C4'-P-C4' energy: -177.470
flat angles P-C4'-P energy: -128.220
tors. eta vs tors. theta energy: -225.208
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: 4, replica: 9
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -2586.312953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.312953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.175675 (E_RNA)
where:
Base-Base interactions energy: -1795.581
where: short stacking energy: -748.662
Base-Backbone interact. energy: -0.614
local terms energy: -792.980867
where:
bonds (distance) C4'-P energy: -136.451
bonds (distance) P-C4' energy: -139.078
flat angles C4'-P-C4' energy: -169.711
flat angles P-C4'-P energy: -121.102
tors. eta vs tors. theta energy: -226.639
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: 5, replica: 3
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -2474.157122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.157122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.909075 (E_RNA)
where:
Base-Base interactions energy: -1708.048
where: short stacking energy: -703.077
Base-Backbone interact. energy: 0.170
local terms energy: -769.031695
where:
bonds (distance) C4'-P energy: -140.798
bonds (distance) P-C4' energy: -146.960
flat angles C4'-P-C4' energy: -165.051
flat angles P-C4'-P energy: -100.788
tors. eta vs tors. theta energy: -215.435
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: 6
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -2411.226377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.226377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.930912 (E_RNA)
where:
Base-Base interactions energy: -1661.455
where: short stacking energy: -710.100
Base-Backbone interact. energy: 12.852
local terms energy: -765.327978
where:
bonds (distance) C4'-P energy: -151.723
bonds (distance) P-C4' energy: -137.464
flat angles C4'-P-C4' energy: -168.554
flat angles P-C4'-P energy: -103.748
tors. eta vs tors. theta energy: -203.840
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: 1
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -2170.958494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.958494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.750437 (E_RNA)
where:
Base-Base interactions energy: -1452.550
where: short stacking energy: -620.405
Base-Backbone interact. energy: -0.712
local terms energy: -719.488453
where:
bonds (distance) C4'-P energy: -131.719
bonds (distance) P-C4' energy: -149.816
flat angles C4'-P-C4' energy: -160.730
flat angles P-C4'-P energy: -87.320
tors. eta vs tors. theta energy: -189.904
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: 4
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -2008.988445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.988445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.509342 (E_RNA)
where:
Base-Base interactions energy: -1354.678
where: short stacking energy: -575.960
Base-Backbone interact. energy: -4.126
local terms energy: -651.706101
where:
bonds (distance) C4'-P energy: -120.276
bonds (distance) P-C4' energy: -139.221
flat angles C4'-P-C4' energy: -149.096
flat angles P-C4'-P energy: -97.501
tors. eta vs tors. theta energy: -145.610
Dist. restrs. and SS energy: 1.521 (S_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: 456
Temperature: 1.300000
Total energy: -1942.522008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.522008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.128021 (E_RNA)
where:
Base-Base interactions energy: -1323.379
where: short stacking energy: -540.630
Base-Backbone interact. energy: 3.378
local terms energy: -626.126803
where:
bonds (distance) C4'-P energy: -118.130
bonds (distance) P-C4' energy: -151.680
flat angles C4'-P-C4' energy: -135.821
flat angles P-C4'-P energy: -91.824
tors. eta vs tors. theta energy: -128.672
Dist. restrs. and SS energy: 3.606 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -1868.981476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.981476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.061534 (E_RNA)
where:
Base-Base interactions energy: -1279.582
where: short stacking energy: -537.738
Base-Backbone interact. energy: 2.099
local terms energy: -594.578647
where:
bonds (distance) C4'-P energy: -111.910
bonds (distance) P-C4' energy: -127.645
flat angles C4'-P-C4' energy: -133.664
flat angles P-C4'-P energy: -96.958
tors. eta vs tors. theta energy: -124.402
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: 1, replica: 7
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -2919.919341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2919.919341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2921.201534 (E_RNA)
where:
Base-Base interactions energy: -2041.731
where: short stacking energy: -811.991
Base-Backbone interact. energy: -3.512
local terms energy: -875.959327
where:
bonds (distance) C4'-P energy: -155.236
bonds (distance) P-C4' energy: -161.457
flat angles C4'-P-C4' energy: -187.682
flat angles P-C4'-P energy: -115.985
tors. eta vs tors. theta energy: -255.599
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: 2
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -2821.592847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.592847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.059768 (E_RNA)
where:
Base-Base interactions energy: -1956.066
where: short stacking energy: -810.889
Base-Backbone interact. energy: -1.857
local terms energy: -865.137318
where:
bonds (distance) C4'-P energy: -149.925
bonds (distance) P-C4' energy: -165.324
flat angles C4'-P-C4' energy: -189.244
flat angles P-C4'-P energy: -117.557
tors. eta vs tors. theta energy: -243.087
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: 3, replica: 10
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -2661.659608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.659608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.137661 (E_RNA)
where:
Base-Base interactions energy: -1850.549
where: short stacking energy: -773.415
Base-Backbone interact. energy: -0.717
local terms energy: -811.871861
where:
bonds (distance) C4'-P energy: -144.459
bonds (distance) P-C4' energy: -151.128
flat angles C4'-P-C4' energy: -163.984
flat angles P-C4'-P energy: -124.696
tors. eta vs tors. theta energy: -227.605
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: 4, replica: 9
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -2588.605088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.605088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.333756 (E_RNA)
where:
Base-Base interactions energy: -1779.341
where: short stacking energy: -728.480
Base-Backbone interact. energy: -0.705
local terms energy: -810.287667
where:
bonds (distance) C4'-P energy: -130.518
bonds (distance) P-C4' energy: -163.576
flat angles C4'-P-C4' energy: -186.951
flat angles P-C4'-P energy: -119.010
tors. eta vs tors. theta energy: -210.233
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: 3
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -2492.492541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.492541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.787264 (E_RNA)
where:
Base-Base interactions energy: -1748.400
where: short stacking energy: -741.734
Base-Backbone interact. energy: -2.292
local terms energy: -743.095228
where:
bonds (distance) C4'-P energy: -115.041
bonds (distance) P-C4' energy: -144.092
flat angles C4'-P-C4' energy: -169.108
flat angles P-C4'-P energy: -100.311
tors. eta vs tors. theta energy: -214.544
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: 6, replica: 6
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -2348.890567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.890567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.821263 (E_RNA)
where:
Base-Base interactions energy: -1641.632
where: short stacking energy: -687.227
Base-Backbone interact. energy: 7.168
local terms energy: -717.357242
where:
bonds (distance) C4'-P energy: -129.412
bonds (distance) P-C4' energy: -140.767
flat angles C4'-P-C4' energy: -151.797
flat angles P-C4'-P energy: -97.980
tors. eta vs tors. theta energy: -197.402
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: 7, replica: 1
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -2207.802375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.802375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.137913 (E_RNA)
where:
Base-Base interactions energy: -1512.354
where: short stacking energy: -655.103
Base-Backbone interact. energy: -0.196
local terms energy: -697.587396
where:
bonds (distance) C4'-P energy: -131.096
bonds (distance) P-C4' energy: -142.278
flat angles C4'-P-C4' energy: -147.099
flat angles P-C4'-P energy: -96.778
tors. eta vs tors. theta energy: -180.337
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: 8, replica: 8
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -2003.380651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.380651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.696494 (E_RNA)
where:
Base-Base interactions energy: -1401.477
where: short stacking energy: -595.652
Base-Backbone interact. energy: 5.161
local terms energy: -608.381077
where:
bonds (distance) C4'-P energy: -111.917
bonds (distance) P-C4' energy: -124.568
flat angles C4'-P-C4' energy: -125.936
flat angles P-C4'-P energy: -96.033
tors. eta vs tors. theta energy: -149.927
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: 9, replica: 4
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -1957.234786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.234786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.851428 (E_RNA)
where:
Base-Base interactions energy: -1323.129
where: short stacking energy: -539.099
Base-Backbone interact. energy: 1.381
local terms energy: -638.103676
where:
bonds (distance) C4'-P energy: -120.847
bonds (distance) P-C4' energy: -153.389
flat angles C4'-P-C4' energy: -138.560
flat angles P-C4'-P energy: -88.378
tors. eta vs tors. theta energy: -136.930
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: 5
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -1839.821466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.821466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.973618 (E_RNA)
where:
Base-Base interactions energy: -1276.704
where: short stacking energy: -515.135
Base-Backbone interact. energy: -2.876
local terms energy: -563.393082
where:
bonds (distance) C4'-P energy: -96.676
bonds (distance) P-C4' energy: -128.418
flat angles C4'-P-C4' energy: -141.735
flat angles P-C4'-P energy: -86.985
tors. eta vs tors. theta energy: -109.580
Dist. restrs. and SS energy: 3.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -2977.606407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2977.606407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2979.735691 (E_RNA)
where:
Base-Base interactions energy: -2081.392
where: short stacking energy: -859.906
Base-Backbone interact. energy: -1.941
local terms energy: -896.403047
where:
bonds (distance) C4'-P energy: -154.895
bonds (distance) P-C4' energy: -166.599
flat angles C4'-P-C4' energy: -195.212
flat angles P-C4'-P energy: -125.807
tors. eta vs tors. theta energy: -253.890
Dist. restrs. and SS energy: 2.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -2825.893468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.893468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.767795 (E_RNA)
where:
Base-Base interactions energy: -1963.268
where: short stacking energy: -827.927
Base-Backbone interact. energy: 0.278
local terms energy: -863.777582
where:
bonds (distance) C4'-P energy: -145.676
bonds (distance) P-C4' energy: -171.818
flat angles C4'-P-C4' energy: -182.035
flat angles P-C4'-P energy: -120.131
tors. eta vs tors. theta energy: -244.118
Dist. restrs. and SS energy: 0.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -2739.841527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.841527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.804850 (E_RNA)
where:
Base-Base interactions energy: -1893.220
where: short stacking energy: -793.538
Base-Backbone interact. energy: -1.231
local terms energy: -846.354396
where:
bonds (distance) C4'-P energy: -154.603
bonds (distance) P-C4' energy: -155.101
flat angles C4'-P-C4' energy: -178.680
flat angles P-C4'-P energy: -126.628
tors. eta vs tors. theta energy: -231.343
Dist. restrs. and SS energy: 0.963 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -2585.521829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.521829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.006062 (E_RNA)
where:
Base-Base interactions energy: -1809.749
where: short stacking energy: -762.045
Base-Backbone interact. energy: 4.173
local terms energy: -781.429650
where:
bonds (distance) C4'-P energy: -125.884
bonds (distance) P-C4' energy: -140.224
flat angles C4'-P-C4' energy: -183.106
flat angles P-C4'-P energy: -112.394
tors. eta vs tors. theta energy: -219.822
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: 5, replica: 3
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -2499.402766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.402766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.892232 (E_RNA)
where:
Base-Base interactions energy: -1737.863
where: short stacking energy: -738.445
Base-Backbone interact. energy: -0.145
local terms energy: -763.884654
where:
bonds (distance) C4'-P energy: -133.834
bonds (distance) P-C4' energy: -134.470
flat angles C4'-P-C4' energy: -169.383
flat angles P-C4'-P energy: -109.384
tors. eta vs tors. theta energy: -216.814
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: 6, replica: 6
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -2377.142580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.142580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.531183 (E_RNA)
where:
Base-Base interactions energy: -1631.669
where: short stacking energy: -682.570
Base-Backbone interact. energy: -4.691
local terms energy: -744.171631
where:
bonds (distance) C4'-P energy: -133.131
bonds (distance) P-C4' energy: -144.455
flat angles C4'-P-C4' energy: -166.920
flat angles P-C4'-P energy: -104.844
tors. eta vs tors. theta energy: -194.822
Dist. restrs. and SS energy: 3.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -2184.131829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.131829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.636397 (E_RNA)
where:
Base-Base interactions energy: -1497.348
where: short stacking energy: -621.582
Base-Backbone interact. energy: -2.253
local terms energy: -686.034701
where:
bonds (distance) C4'-P energy: -152.173
bonds (distance) P-C4' energy: -120.529
flat angles C4'-P-C4' energy: -157.977
flat angles P-C4'-P energy: -92.607
tors. eta vs tors. theta energy: -162.748
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: 8, replica: 8
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -1981.493978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.493978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.218486 (E_RNA)
where:
Base-Base interactions energy: -1321.082
where: short stacking energy: -577.118
Base-Backbone interact. energy: 0.034
local terms energy: -665.170790
where:
bonds (distance) C4'-P energy: -122.939
bonds (distance) P-C4' energy: -152.440
flat angles C4'-P-C4' energy: -159.963
flat angles P-C4'-P energy: -88.361
tors. eta vs tors. theta energy: -141.469
Dist. restrs. and SS energy: 4.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -1923.737308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.737308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.365518 (E_RNA)
where:
Base-Base interactions energy: -1308.036
where: short stacking energy: -541.876
Base-Backbone interact. energy: -1.239
local terms energy: -620.090444
where:
bonds (distance) C4'-P energy: -116.503
bonds (distance) P-C4' energy: -140.876
flat angles C4'-P-C4' energy: -134.198
flat angles P-C4'-P energy: -95.342
tors. eta vs tors. theta energy: -133.171
Dist. restrs. and SS energy: 5.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -1856.649234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.649234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.534504 (E_RNA)
where:
Base-Base interactions energy: -1262.373
where: short stacking energy: -518.295
Base-Backbone interact. energy: -2.087
local terms energy: -595.074365
where:
bonds (distance) C4'-P energy: -119.892
bonds (distance) P-C4' energy: -120.885
flat angles C4'-P-C4' energy: -138.701
flat angles P-C4'-P energy: -84.537
tors. eta vs tors. theta energy: -131.059
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: 1, replica: 7
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -2971.082766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2971.082766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2973.801404 (E_RNA)
where:
Base-Base interactions energy: -2085.205
where: short stacking energy: -869.020
Base-Backbone interact. energy: -3.778
local terms energy: -884.818499
where:
bonds (distance) C4'-P energy: -164.267
bonds (distance) P-C4' energy: -163.506
flat angles C4'-P-C4' energy: -180.593
flat angles P-C4'-P energy: -118.390
tors. eta vs tors. theta energy: -258.064
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: 2
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -2850.447755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2850.447755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2852.049349 (E_RNA)
where:
Base-Base interactions energy: -1971.088
where: short stacking energy: -828.412
Base-Backbone interact. energy: -0.963
local terms energy: -879.998233
where:
bonds (distance) C4'-P energy: -150.111
bonds (distance) P-C4' energy: -173.963
flat angles C4'-P-C4' energy: -181.808
flat angles P-C4'-P energy: -123.446
tors. eta vs tors. theta energy: -250.670
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: 10
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -2713.565514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.565514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.017725 (E_RNA)
where:
Base-Base interactions energy: -1905.919
where: short stacking energy: -814.773
Base-Backbone interact. energy: 0.729
local terms energy: -809.828113
where:
bonds (distance) C4'-P energy: -132.766
bonds (distance) P-C4' energy: -164.912
flat angles C4'-P-C4' energy: -172.202
flat angles P-C4'-P energy: -113.775
tors. eta vs tors. theta energy: -226.173
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: 4, replica: 9
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -2557.840694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.840694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.823817 (E_RNA)
where:
Base-Base interactions energy: -1768.411
where: short stacking energy: -725.655
Base-Backbone interact. energy: -2.724
local terms energy: -788.688743
where:
bonds (distance) C4'-P energy: -140.380
bonds (distance) P-C4' energy: -146.571
flat angles C4'-P-C4' energy: -177.565
flat angles P-C4'-P energy: -120.194
tors. eta vs tors. theta energy: -203.979
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: 5, replica: 3
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -2429.070840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.070840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.544733 (E_RNA)
where:
Base-Base interactions energy: -1703.908
where: short stacking energy: -710.968
Base-Backbone interact. energy: -3.544
local terms energy: -723.092378
where:
bonds (distance) C4'-P energy: -128.961
bonds (distance) P-C4' energy: -147.627
flat angles C4'-P-C4' energy: -142.105
flat angles P-C4'-P energy: -113.136
tors. eta vs tors. theta energy: -191.262
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: 6, replica: 6
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -2339.839357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.839357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.147157 (E_RNA)
where:
Base-Base interactions energy: -1607.351
where: short stacking energy: -657.406
Base-Backbone interact. energy: -5.059
local terms energy: -729.737227
where:
bonds (distance) C4'-P energy: -147.291
bonds (distance) P-C4' energy: -142.645
flat angles C4'-P-C4' energy: -158.389
flat angles P-C4'-P energy: -94.804
tors. eta vs tors. theta energy: -186.608
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: 7, replica: 1
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -2211.818008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.818008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.911086 (E_RNA)
where:
Base-Base interactions energy: -1508.925
where: short stacking energy: -665.862
Base-Backbone interact. energy: 3.255
local terms energy: -709.241859
where:
bonds (distance) C4'-P energy: -122.455
bonds (distance) P-C4' energy: -153.501
flat angles C4'-P-C4' energy: -166.955
flat angles P-C4'-P energy: -94.136
tors. eta vs tors. theta energy: -172.195
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: 8, replica: 8
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -2001.028904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.028904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.448801 (E_RNA)
where:
Base-Base interactions energy: -1310.863
where: short stacking energy: -538.588
Base-Backbone interact. energy: 2.538
local terms energy: -695.123039
where:
bonds (distance) C4'-P energy: -131.461
bonds (distance) P-C4' energy: -145.703
flat angles C4'-P-C4' energy: -159.776
flat angles P-C4'-P energy: -100.396
tors. eta vs tors. theta energy: -157.787
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: 5
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -1960.730836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.730836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.623222 (E_RNA)
where:
Base-Base interactions energy: -1345.353
where: short stacking energy: -554.687
Base-Backbone interact. energy: 0.500
local terms energy: -618.770101
where:
bonds (distance) C4'-P energy: -125.866
bonds (distance) P-C4' energy: -142.701
flat angles C4'-P-C4' energy: -136.824
flat angles P-C4'-P energy: -79.658
tors. eta vs tors. theta energy: -133.722
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: 10, replica: 4
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -1849.534879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.534879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.896279 (E_RNA)
where:
Base-Base interactions energy: -1246.245
where: short stacking energy: -542.040
Base-Backbone interact. energy: -2.030
local terms energy: -604.620828
where:
bonds (distance) C4'-P energy: -123.236
bonds (distance) P-C4' energy: -126.009
flat angles C4'-P-C4' energy: -135.785
flat angles P-C4'-P energy: -87.930
tors. eta vs tors. theta energy: -131.660
Dist. restrs. and SS energy: 3.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -2970.776639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2970.776639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2973.015336 (E_RNA)
where:
Base-Base interactions energy: -2054.787
where: short stacking energy: -859.222
Base-Backbone interact. energy: -2.300
local terms energy: -915.928616
where:
bonds (distance) C4'-P energy: -167.115
bonds (distance) P-C4' energy: -171.753
flat angles C4'-P-C4' energy: -187.658
flat angles P-C4'-P energy: -137.742
tors. eta vs tors. theta energy: -251.661
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: 2, replica: 2
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -2806.323665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.323665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.575865 (E_RNA)
where:
Base-Base interactions energy: -1958.566
where: short stacking energy: -822.906
Base-Backbone interact. energy: 2.586
local terms energy: -851.596387
where:
bonds (distance) C4'-P energy: -140.136
bonds (distance) P-C4' energy: -150.131
flat angles C4'-P-C4' energy: -198.815
flat angles P-C4'-P energy: -110.064
tors. eta vs tors. theta energy: -252.451
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: 10
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -2680.851489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.851489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.338298 (E_RNA)
where:
Base-Base interactions energy: -1858.616
where: short stacking energy: -753.641
Base-Backbone interact. energy: 2.680
local terms energy: -826.402261
where:
bonds (distance) C4'-P energy: -148.617
bonds (distance) P-C4' energy: -150.955
flat angles C4'-P-C4' energy: -182.744
flat angles P-C4'-P energy: -130.317
tors. eta vs tors. theta energy: -213.771
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: 4, replica: 9
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -2590.489474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.489474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.254571 (E_RNA)
where:
Base-Base interactions energy: -1771.973
where: short stacking energy: -749.985
Base-Backbone interact. energy: 4.469
local terms energy: -824.750378
where:
bonds (distance) C4'-P energy: -154.493
bonds (distance) P-C4' energy: -153.497
flat angles C4'-P-C4' energy: -184.654
flat angles P-C4'-P energy: -113.393
tors. eta vs tors. theta energy: -218.713
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: 5, replica: 3
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -2426.084364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.084364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.828058 (E_RNA)
where:
Base-Base interactions energy: -1635.076
where: short stacking energy: -693.259
Base-Backbone interact. energy: 4.839
local terms energy: -797.590562
where:
bonds (distance) C4'-P energy: -162.449
bonds (distance) P-C4' energy: -138.588
flat angles C4'-P-C4' energy: -179.680
flat angles P-C4'-P energy: -125.870
tors. eta vs tors. theta energy: -191.004
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: 6, replica: 6
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -2300.956257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.956257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.989028 (E_RNA)
where:
Base-Base interactions energy: -1592.130
where: short stacking energy: -667.626
Base-Backbone interact. energy: -4.046
local terms energy: -706.812921
where:
bonds (distance) C4'-P energy: -139.532
bonds (distance) P-C4' energy: -129.386
flat angles C4'-P-C4' energy: -152.947
flat angles P-C4'-P energy: -105.115
tors. eta vs tors. theta energy: -179.833
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: 7, replica: 1
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -2194.187938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.187938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.378199 (E_RNA)
where:
Base-Base interactions energy: -1478.004
where: short stacking energy: -611.511
Base-Backbone interact. energy: -2.548
local terms energy: -716.825280
where:
bonds (distance) C4'-P energy: -136.261
bonds (distance) P-C4' energy: -154.634
flat angles C4'-P-C4' energy: -164.438
flat angles P-C4'-P energy: -89.962
tors. eta vs tors. theta energy: -171.531
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: 8, replica: 8
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -1979.360831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.360831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.476817 (E_RNA)
where:
Base-Base interactions energy: -1307.895
where: short stacking energy: -554.909
Base-Backbone interact. energy: -2.150
local terms energy: -673.432514
where:
bonds (distance) C4'-P energy: -124.714
bonds (distance) P-C4' energy: -146.288
flat angles C4'-P-C4' energy: -158.316
flat angles P-C4'-P energy: -100.821
tors. eta vs tors. theta energy: -143.293
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: 9, replica: 4
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -1925.905430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.905430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.945152 (E_RNA)
where:
Base-Base interactions energy: -1324.262
where: short stacking energy: -563.348
Base-Backbone interact. energy: -2.693
local terms energy: -600.989891
where:
bonds (distance) C4'-P energy: -121.039
bonds (distance) P-C4' energy: -128.870
flat angles C4'-P-C4' energy: -135.302
flat angles P-C4'-P energy: -82.537
tors. eta vs tors. theta energy: -133.243
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: 10, replica: 5
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -1897.969689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.969689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.098809 (E_RNA)
where:
Base-Base interactions energy: -1297.909
where: short stacking energy: -579.395
Base-Backbone interact. energy: -2.178
local terms energy: -601.011314
where:
bonds (distance) C4'-P energy: -121.262
bonds (distance) P-C4' energy: -119.212
flat angles C4'-P-C4' energy: -146.907
flat angles P-C4'-P energy: -75.025
tors. eta vs tors. theta energy: -138.606
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: 7
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -2939.676308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2939.676308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2942.138743 (E_RNA)
where:
Base-Base interactions energy: -2049.469
where: short stacking energy: -852.150
Base-Backbone interact. energy: -3.540
local terms energy: -889.129238
where:
bonds (distance) C4'-P energy: -167.459
bonds (distance) P-C4' energy: -161.030
flat angles C4'-P-C4' energy: -185.691
flat angles P-C4'-P energy: -126.384
tors. eta vs tors. theta energy: -248.564
Dist. restrs. and SS energy: 2.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -2822.782911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.782911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.499956 (E_RNA)
where:
Base-Base interactions energy: -1969.474
where: short stacking energy: -829.268
Base-Backbone interact. energy: -3.105
local terms energy: -852.921638
where:
bonds (distance) C4'-P energy: -150.624
bonds (distance) P-C4' energy: -161.137
flat angles C4'-P-C4' energy: -178.324
flat angles P-C4'-P energy: -110.473
tors. eta vs tors. theta energy: -252.364
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: 3, replica: 10
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -2705.293588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.293588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.236809 (E_RNA)
where:
Base-Base interactions energy: -1895.800
where: short stacking energy: -807.457
Base-Backbone interact. energy: 1.345
local terms energy: -811.780911
where:
bonds (distance) C4'-P energy: -142.218
bonds (distance) P-C4' energy: -146.020
flat angles C4'-P-C4' energy: -171.899
flat angles P-C4'-P energy: -125.768
tors. eta vs tors. theta energy: -225.877
Dist. restrs. and SS energy: 0.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -2667.167547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.167547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.886371 (E_RNA)
where:
Base-Base interactions energy: -1840.942
where: short stacking energy: -777.466
Base-Backbone interact. energy: -1.570
local terms energy: -826.374258
where:
bonds (distance) C4'-P energy: -156.975
bonds (distance) P-C4' energy: -145.229
flat angles C4'-P-C4' energy: -175.906
flat angles P-C4'-P energy: -112.920
tors. eta vs tors. theta energy: -235.344
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: 5, replica: 3
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -2447.333940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.333940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.385651 (E_RNA)
where:
Base-Base interactions energy: -1673.610
where: short stacking energy: -702.354
Base-Backbone interact. energy: 4.500
local terms energy: -780.275099
where:
bonds (distance) C4'-P energy: -153.568
bonds (distance) P-C4' energy: -150.869
flat angles C4'-P-C4' energy: -166.698
flat angles P-C4'-P energy: -99.794
tors. eta vs tors. theta energy: -209.345
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: 6, replica: 6
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -2320.617523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.617523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.655796 (E_RNA)
where:
Base-Base interactions energy: -1573.765
where: short stacking energy: -681.470
Base-Backbone interact. energy: -3.848
local terms energy: -745.042429
where:
bonds (distance) C4'-P energy: -134.117
bonds (distance) P-C4' energy: -137.061
flat angles C4'-P-C4' energy: -175.183
flat angles P-C4'-P energy: -107.030
tors. eta vs tors. theta energy: -191.651
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: 7, replica: 1
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -2206.259246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.259246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.548585 (E_RNA)
where:
Base-Base interactions energy: -1505.016
where: short stacking energy: -632.867
Base-Backbone interact. energy: -2.429
local terms energy: -700.103102
where:
bonds (distance) C4'-P energy: -147.074
bonds (distance) P-C4' energy: -123.690
flat angles C4'-P-C4' energy: -167.660
flat angles P-C4'-P energy: -101.563
tors. eta vs tors. theta energy: -160.116
Dist. restrs. and SS energy: 1.289 (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: 461
Temperature: 1.250000
Total energy: -2022.614035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.614035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.788068 (E_RNA)
where:
Base-Base interactions energy: -1412.374
where: short stacking energy: -585.623
Base-Backbone interact. energy: 1.307
local terms energy: -613.721061
where:
bonds (distance) C4'-P energy: -101.979
bonds (distance) P-C4' energy: -123.062
flat angles C4'-P-C4' energy: -146.449
flat angles P-C4'-P energy: -95.124
tors. eta vs tors. theta energy: -147.108
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: 9, replica: 4
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -1926.349772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.349772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.717297 (E_RNA)
where:
Base-Base interactions energy: -1276.825
where: short stacking energy: -545.180
Base-Backbone interact. energy: 0.704
local terms energy: -653.596233
where:
bonds (distance) C4'-P energy: -132.155
bonds (distance) P-C4' energy: -134.092
flat angles C4'-P-C4' energy: -154.416
flat angles P-C4'-P energy: -81.287
tors. eta vs tors. theta energy: -151.646
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: 5
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -1803.434285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.434285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.550728 (E_RNA)
where:
Base-Base interactions energy: -1221.548
where: short stacking energy: -499.312
Base-Backbone interact. energy: -1.273
local terms energy: -586.729570
where:
bonds (distance) C4'-P energy: -131.123
bonds (distance) P-C4' energy: -107.888
flat angles C4'-P-C4' energy: -133.466
flat angles P-C4'-P energy: -86.906
tors. eta vs tors. theta energy: -127.345
Dist. restrs. and SS energy: 6.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -2942.338675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2942.338675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2944.621876 (E_RNA)
where:
Base-Base interactions energy: -2049.419
where: short stacking energy: -853.007
Base-Backbone interact. energy: 1.034
local terms energy: -896.237820
where:
bonds (distance) C4'-P energy: -170.086
bonds (distance) P-C4' energy: -163.818
flat angles C4'-P-C4' energy: -193.726
flat angles P-C4'-P energy: -119.562
tors. eta vs tors. theta energy: -249.046
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: 2, replica: 2
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -2801.563226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.563226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.931552 (E_RNA)
where:
Base-Base interactions energy: -1934.980
where: short stacking energy: -812.791
Base-Backbone interact. energy: -0.012
local terms energy: -867.939352
where:
bonds (distance) C4'-P energy: -148.748
bonds (distance) P-C4' energy: -162.256
flat angles C4'-P-C4' energy: -190.467
flat angles P-C4'-P energy: -122.459
tors. eta vs tors. theta energy: -244.010
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: 3, replica: 10
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -2728.433432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.433432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.450863 (E_RNA)
where:
Base-Base interactions energy: -1890.403
where: short stacking energy: -796.044
Base-Backbone interact. energy: -1.013
local terms energy: -839.034254
where:
bonds (distance) C4'-P energy: -154.143
bonds (distance) P-C4' energy: -151.423
flat angles C4'-P-C4' energy: -180.262
flat angles P-C4'-P energy: -126.829
tors. eta vs tors. theta energy: -226.377
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: 9
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -2647.483211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.483211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.063047 (E_RNA)
where:
Base-Base interactions energy: -1829.854
where: short stacking energy: -758.623
Base-Backbone interact. energy: -0.591
local terms energy: -818.618082
where:
bonds (distance) C4'-P energy: -137.647
bonds (distance) P-C4' energy: -161.861
flat angles C4'-P-C4' energy: -167.610
flat angles P-C4'-P energy: -118.921
tors. eta vs tors. theta energy: -232.579
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: 3
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -2465.951080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.951080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.865326 (E_RNA)
where:
Base-Base interactions energy: -1714.588
where: short stacking energy: -751.763
Base-Backbone interact. energy: 3.467
local terms energy: -756.743412
where:
bonds (distance) C4'-P energy: -163.050
bonds (distance) P-C4' energy: -136.621
flat angles C4'-P-C4' energy: -157.524
flat angles P-C4'-P energy: -102.823
tors. eta vs tors. theta energy: -196.726
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: 6, replica: 6
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -2350.583114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.583114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.297189 (E_RNA)
where:
Base-Base interactions energy: -1598.629
where: short stacking energy: -704.762
Base-Backbone interact. energy: -2.192
local terms energy: -753.476318
where:
bonds (distance) C4'-P energy: -138.353
bonds (distance) P-C4' energy: -142.203
flat angles C4'-P-C4' energy: -158.176
flat angles P-C4'-P energy: -112.691
tors. eta vs tors. theta energy: -202.052
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: 7, replica: 1
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -2180.723803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.723803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.916006 (E_RNA)
where:
Base-Base interactions energy: -1478.058
where: short stacking energy: -622.241
Base-Backbone interact. energy: 7.660
local terms energy: -713.518411
where:
bonds (distance) C4'-P energy: -143.017
bonds (distance) P-C4' energy: -133.409
flat angles C4'-P-C4' energy: -170.189
flat angles P-C4'-P energy: -91.592
tors. eta vs tors. theta energy: -175.312
Dist. restrs. and SS energy: 3.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -2029.137686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.137686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.739451 (E_RNA)
where:
Base-Base interactions energy: -1353.926
where: short stacking energy: -571.667
Base-Backbone interact. energy: -2.678
local terms energy: -676.135241
where:
bonds (distance) C4'-P energy: -117.003
bonds (distance) P-C4' energy: -145.727
flat angles C4'-P-C4' energy: -146.369
flat angles P-C4'-P energy: -107.782
tors. eta vs tors. theta energy: -159.254
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: 9, replica: 4
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -1967.886492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.886492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.229620 (E_RNA)
where:
Base-Base interactions energy: -1339.602
where: short stacking energy: -531.403
Base-Backbone interact. energy: 2.619
local terms energy: -634.247149
where:
bonds (distance) C4'-P energy: -122.822
bonds (distance) P-C4' energy: -128.491
flat angles C4'-P-C4' energy: -150.096
flat angles P-C4'-P energy: -92.108
tors. eta vs tors. theta energy: -140.730
Dist. restrs. and SS energy: 3.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -1843.287936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.287936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.149657 (E_RNA)
where:
Base-Base interactions energy: -1256.969
where: short stacking energy: -518.312
Base-Backbone interact. energy: -2.959
local terms energy: -587.222002
where:
bonds (distance) C4'-P energy: -130.298
bonds (distance) P-C4' energy: -124.195
flat angles C4'-P-C4' energy: -131.718
flat angles P-C4'-P energy: -75.730
tors. eta vs tors. theta energy: -125.281
Dist. restrs. and SS energy: 3.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -2937.406232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2937.406232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2939.818052 (E_RNA)
where:
Base-Base interactions energy: -2046.575
where: short stacking energy: -872.743
Base-Backbone interact. energy: 1.989
local terms energy: -895.232724
where:
bonds (distance) C4'-P energy: -166.884
bonds (distance) P-C4' energy: -150.069
flat angles C4'-P-C4' energy: -189.645
flat angles P-C4'-P energy: -123.399
tors. eta vs tors. theta energy: -265.236
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: 2
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -2788.266491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.266491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.818479 (E_RNA)
where:
Base-Base interactions energy: -1952.428
where: short stacking energy: -827.290
Base-Backbone interact. energy: -0.881
local terms energy: -836.508972
where:
bonds (distance) C4'-P energy: -154.306
bonds (distance) P-C4' energy: -154.300
flat angles C4'-P-C4' energy: -176.612
flat angles P-C4'-P energy: -117.895
tors. eta vs tors. theta energy: -233.396
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: 3, replica: 10
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -2703.689297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.689297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.061707 (E_RNA)
where:
Base-Base interactions energy: -1868.891
where: short stacking energy: -781.651
Base-Backbone interact. energy: -1.571
local terms energy: -834.599653
where:
bonds (distance) C4'-P energy: -152.042
bonds (distance) P-C4' energy: -164.178
flat angles C4'-P-C4' energy: -166.183
flat angles P-C4'-P energy: -129.562
tors. eta vs tors. theta energy: -222.636
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: 4, replica: 9
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -2656.905017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.905017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.743347 (E_RNA)
where:
Base-Base interactions energy: -1874.345
where: short stacking energy: -780.774
Base-Backbone interact. energy: -3.005
local terms energy: -782.393412
where:
bonds (distance) C4'-P energy: -132.272
bonds (distance) P-C4' energy: -151.981
flat angles C4'-P-C4' energy: -165.407
flat angles P-C4'-P energy: -101.951
tors. eta vs tors. theta energy: -230.782
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: 5, replica: 3
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -2467.713520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.713520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.438537 (E_RNA)
where:
Base-Base interactions energy: -1674.120
where: short stacking energy: -703.140
Base-Backbone interact. energy: -3.994
local terms energy: -791.325009
where:
bonds (distance) C4'-P energy: -120.276
bonds (distance) P-C4' energy: -178.783
flat angles C4'-P-C4' energy: -160.040
flat angles P-C4'-P energy: -128.073
tors. eta vs tors. theta energy: -204.153
Dist. restrs. and SS energy: 1.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -2337.967640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.967640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.666965 (E_RNA)
where:
Base-Base interactions energy: -1613.590
where: short stacking energy: -693.476
Base-Backbone interact. energy: 0.851
local terms energy: -726.928100
where:
bonds (distance) C4'-P energy: -138.591
bonds (distance) P-C4' energy: -137.349
flat angles C4'-P-C4' energy: -157.470
flat angles P-C4'-P energy: -106.672
tors. eta vs tors. theta energy: -186.846
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: 7, replica: 1
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -2215.439694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.439694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.971028 (E_RNA)
where:
Base-Base interactions energy: -1478.756
where: short stacking energy: -628.142
Base-Backbone interact. energy: -0.914
local terms energy: -738.301158
where:
bonds (distance) C4'-P energy: -152.605
bonds (distance) P-C4' energy: -148.399
flat angles C4'-P-C4' energy: -151.956
flat angles P-C4'-P energy: -102.115
tors. eta vs tors. theta energy: -183.227
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: 8, replica: 8
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -2027.743970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.743970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.575998 (E_RNA)
where:
Base-Base interactions energy: -1394.040
where: short stacking energy: -596.128
Base-Backbone interact. energy: -3.561
local terms energy: -631.974890
where:
bonds (distance) C4'-P energy: -131.259
bonds (distance) P-C4' energy: -93.927
flat angles C4'-P-C4' energy: -158.541
flat angles P-C4'-P energy: -94.372
tors. eta vs tors. theta energy: -153.876
Dist. restrs. and SS energy: 1.832 (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: 4
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -1938.930326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.930326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.980429 (E_RNA)
where:
Base-Base interactions energy: -1328.765
where: short stacking energy: -552.429
Base-Backbone interact. energy: -3.476
local terms energy: -609.739514
where:
bonds (distance) C4'-P energy: -115.733
bonds (distance) P-C4' energy: -138.216
flat angles C4'-P-C4' energy: -135.021
flat angles P-C4'-P energy: -80.175
tors. eta vs tors. theta energy: -140.595
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: 5
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -1831.105619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.105619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.201025 (E_RNA)
where:
Base-Base interactions energy: -1242.662
where: short stacking energy: -507.031
Base-Backbone interact. energy: 4.341
local terms energy: -599.879893
where:
bonds (distance) C4'-P energy: -120.549
bonds (distance) P-C4' energy: -129.604
flat angles C4'-P-C4' energy: -116.143
flat angles P-C4'-P energy: -84.470
tors. eta vs tors. theta energy: -149.113
Dist. restrs. and SS energy: 7.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -2917.618653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2917.618653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2919.725571 (E_RNA)
where:
Base-Base interactions energy: -2028.368
where: short stacking energy: -850.897
Base-Backbone interact. energy: -1.742
local terms energy: -889.615978
where:
bonds (distance) C4'-P energy: -159.998
bonds (distance) P-C4' energy: -169.659
flat angles C4'-P-C4' energy: -180.788
flat angles P-C4'-P energy: -126.523
tors. eta vs tors. theta energy: -252.648
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: 2, replica: 2
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -2837.242517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2837.242517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2839.996839 (E_RNA)
where:
Base-Base interactions energy: -1972.942
where: short stacking energy: -822.528
Base-Backbone interact. energy: 0.655
local terms energy: -867.710357
where:
bonds (distance) C4'-P energy: -156.879
bonds (distance) P-C4' energy: -168.980
flat angles C4'-P-C4' energy: -180.355
flat angles P-C4'-P energy: -114.901
tors. eta vs tors. theta energy: -246.595
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: 3, replica: 10
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -2726.000080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.000080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.408771 (E_RNA)
where:
Base-Base interactions energy: -1890.458
where: short stacking energy: -766.288
Base-Backbone interact. energy: 1.689
local terms energy: -839.640255
where:
bonds (distance) C4'-P energy: -152.412
bonds (distance) P-C4' energy: -153.365
flat angles C4'-P-C4' energy: -183.651
flat angles P-C4'-P energy: -124.265
tors. eta vs tors. theta energy: -225.947
Dist. restrs. and SS energy: 2.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -2632.675674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.675674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.113177 (E_RNA)
where:
Base-Base interactions energy: -1844.436
where: short stacking energy: -755.039
Base-Backbone interact. energy: -3.924
local terms energy: -785.752701
where:
bonds (distance) C4'-P energy: -137.351
bonds (distance) P-C4' energy: -141.313
flat angles C4'-P-C4' energy: -177.779
flat angles P-C4'-P energy: -109.044
tors. eta vs tors. theta energy: -220.266
Dist. restrs. and SS energy: 1.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -2482.947539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.947539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.067277 (E_RNA)
where:
Base-Base interactions energy: -1714.767
where: short stacking energy: -737.802
Base-Backbone interact. energy: -2.298
local terms energy: -769.002609
where:
bonds (distance) C4'-P energy: -147.237
bonds (distance) P-C4' energy: -140.447
flat angles C4'-P-C4' energy: -174.051
flat angles P-C4'-P energy: -95.441
tors. eta vs tors. theta energy: -211.827
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: 6, replica: 6
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -2320.255202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.255202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.871824 (E_RNA)
where:
Base-Base interactions energy: -1592.079
where: short stacking energy: -672.849
Base-Backbone interact. energy: -2.279
local terms energy: -728.513682
where:
bonds (distance) C4'-P energy: -137.194
bonds (distance) P-C4' energy: -143.725
flat angles C4'-P-C4' energy: -160.566
flat angles P-C4'-P energy: -98.137
tors. eta vs tors. theta energy: -188.891
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: 7, replica: 1
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -2208.160205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.160205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.363242 (E_RNA)
where:
Base-Base interactions energy: -1496.344
where: short stacking energy: -657.320
Base-Backbone interact. energy: -2.532
local terms energy: -711.487333
where:
bonds (distance) C4'-P energy: -131.881
bonds (distance) P-C4' energy: -158.402
flat angles C4'-P-C4' energy: -153.473
flat angles P-C4'-P energy: -93.307
tors. eta vs tors. theta energy: -174.424
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: 8, replica: 8
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -2053.385801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.385801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.120410 (E_RNA)
where:
Base-Base interactions energy: -1398.152
where: short stacking energy: -592.485
Base-Backbone interact. energy: 6.645
local terms energy: -663.613904
where:
bonds (distance) C4'-P energy: -122.957
bonds (distance) P-C4' energy: -139.204
flat angles C4'-P-C4' energy: -154.829
flat angles P-C4'-P energy: -103.935
tors. eta vs tors. theta energy: -142.689
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: 9, replica: 4
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -1966.257366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.257366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.879245 (E_RNA)
where:
Base-Base interactions energy: -1339.661
where: short stacking energy: -547.066
Base-Backbone interact. energy: -5.062
local terms energy: -625.156686
where:
bonds (distance) C4'-P energy: -125.789
bonds (distance) P-C4' energy: -106.020
flat angles C4'-P-C4' energy: -135.195
flat angles P-C4'-P energy: -109.277
tors. eta vs tors. theta energy: -148.875
Dist. restrs. and SS energy: 3.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -1842.532763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.532763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.726051 (E_RNA)
where:
Base-Base interactions energy: -1267.707
where: short stacking energy: -532.259
Base-Backbone interact. energy: 2.723
local terms energy: -581.742311
where:
bonds (distance) C4'-P energy: -119.615
bonds (distance) P-C4' energy: -136.051
flat angles C4'-P-C4' energy: -135.290
flat angles P-C4'-P energy: -64.469
tors. eta vs tors. theta energy: -126.318
Dist. restrs. and SS energy: 4.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -2944.698070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2944.698070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2947.663674 (E_RNA)
where:
Base-Base interactions energy: -2062.239
where: short stacking energy: -843.844
Base-Backbone interact. energy: -2.901
local terms energy: -882.523086
where:
bonds (distance) C4'-P energy: -154.066
bonds (distance) P-C4' energy: -168.116
flat angles C4'-P-C4' energy: -190.304
flat angles P-C4'-P energy: -130.891
tors. eta vs tors. theta energy: -239.146
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: 2, replica: 2
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -2808.009945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.009945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.768088 (E_RNA)
where:
Base-Base interactions energy: -1971.054
where: short stacking energy: -805.370
Base-Backbone interact. energy: -1.604
local terms energy: -837.109950
where:
bonds (distance) C4'-P energy: -160.329
bonds (distance) P-C4' energy: -161.056
flat angles C4'-P-C4' energy: -172.065
flat angles P-C4'-P energy: -111.723
tors. eta vs tors. theta energy: -231.936
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: 3, replica: 10
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -2728.825291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.825291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.299449 (E_RNA)
where:
Base-Base interactions energy: -1879.745
where: short stacking energy: -774.505
Base-Backbone interact. energy: -5.327
local terms energy: -846.228110
where:
bonds (distance) C4'-P energy: -149.855
bonds (distance) P-C4' energy: -156.806
flat angles C4'-P-C4' energy: -179.642
flat angles P-C4'-P energy: -126.248
tors. eta vs tors. theta energy: -233.678
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: 4, replica: 9
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -2638.148681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.148681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.146851 (E_RNA)
where:
Base-Base interactions energy: -1821.197
where: short stacking energy: -782.866
Base-Backbone interact. energy: -1.785
local terms energy: -816.164807
where:
bonds (distance) C4'-P energy: -131.090
bonds (distance) P-C4' energy: -153.524
flat angles C4'-P-C4' energy: -174.127
flat angles P-C4'-P energy: -129.725
tors. eta vs tors. theta energy: -227.699
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: 5, replica: 3
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -2507.385279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.385279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.203324 (E_RNA)
where:
Base-Base interactions energy: -1716.917
where: short stacking energy: -726.490
Base-Backbone interact. energy: 2.065
local terms energy: -796.351769
where:
bonds (distance) C4'-P energy: -140.911
bonds (distance) P-C4' energy: -153.637
flat angles C4'-P-C4' energy: -184.390
flat angles P-C4'-P energy: -107.792
tors. eta vs tors. theta energy: -209.622
Dist. restrs. and SS energy: 3.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -2292.793466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.793466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.369516 (E_RNA)
where:
Base-Base interactions energy: -1560.220
where: short stacking energy: -669.572
Base-Backbone interact. energy: 2.940
local terms energy: -738.089894
where:
bonds (distance) C4'-P energy: -143.504
bonds (distance) P-C4' energy: -134.386
flat angles C4'-P-C4' energy: -157.937
flat angles P-C4'-P energy: -102.465
tors. eta vs tors. theta energy: -199.797
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: 7, replica: 1
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -2184.538249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.538249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.477430 (E_RNA)
where:
Base-Base interactions energy: -1453.662
where: short stacking energy: -630.876
Base-Backbone interact. energy: -0.480
local terms energy: -732.335485
where:
bonds (distance) C4'-P energy: -143.677
bonds (distance) P-C4' energy: -144.398
flat angles C4'-P-C4' energy: -180.550
flat angles P-C4'-P energy: -96.227
tors. eta vs tors. theta energy: -167.484
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: 8, replica: 8
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -2034.388883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.388883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.764752 (E_RNA)
where:
Base-Base interactions energy: -1369.182
where: short stacking energy: -564.910
Base-Backbone interact. energy: -1.787
local terms energy: -664.796181
where:
bonds (distance) C4'-P energy: -134.443
bonds (distance) P-C4' energy: -140.970
flat angles C4'-P-C4' energy: -154.607
flat angles P-C4'-P energy: -78.720
tors. eta vs tors. theta energy: -156.057
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: 9, replica: 4
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -1925.111731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.111731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.886420 (E_RNA)
where:
Base-Base interactions energy: -1283.218
where: short stacking energy: -541.960
Base-Backbone interact. energy: -1.089
local terms energy: -643.579375
where:
bonds (distance) C4'-P energy: -141.172
bonds (distance) P-C4' energy: -128.121
flat angles C4'-P-C4' energy: -137.567
flat angles P-C4'-P energy: -91.300
tors. eta vs tors. theta energy: -145.419
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: 10, replica: 5
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -1816.978299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.978299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.908926 (E_RNA)
where:
Base-Base interactions energy: -1229.067
where: short stacking energy: -496.663
Base-Backbone interact. energy: 2.053
local terms energy: -592.895600
where:
bonds (distance) C4'-P energy: -129.638
bonds (distance) P-C4' energy: -126.176
flat angles C4'-P-C4' energy: -138.611
flat angles P-C4'-P energy: -80.879
tors. eta vs tors. theta energy: -117.592
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: 1, replica: 7
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -2934.767076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2934.767076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2936.945337 (E_RNA)
where:
Base-Base interactions energy: -2048.251
where: short stacking energy: -837.524
Base-Backbone interact. energy: -6.361
local terms energy: -882.334143
where:
bonds (distance) C4'-P energy: -145.851
bonds (distance) P-C4' energy: -167.197
flat angles C4'-P-C4' energy: -194.653
flat angles P-C4'-P energy: -125.342
tors. eta vs tors. theta energy: -249.292
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: 2, replica: 2
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -2847.291769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2847.291769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2848.265594 (E_RNA)
where:
Base-Base interactions energy: -1977.667
where: short stacking energy: -828.845
Base-Backbone interact. energy: -1.652
local terms energy: -868.947028
where:
bonds (distance) C4'-P energy: -150.714
bonds (distance) P-C4' energy: -158.162
flat angles C4'-P-C4' energy: -189.084
flat angles P-C4'-P energy: -113.862
tors. eta vs tors. theta energy: -257.124
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: 10
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -2723.267014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.267014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.976611 (E_RNA)
where:
Base-Base interactions energy: -1889.458
where: short stacking energy: -812.591
Base-Backbone interact. energy: -4.278
local terms energy: -831.240956
where:
bonds (distance) C4'-P energy: -132.876
bonds (distance) P-C4' energy: -164.400
flat angles C4'-P-C4' energy: -185.967
flat angles P-C4'-P energy: -106.071
tors. eta vs tors. theta energy: -241.927
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: 9
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -2631.707725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.707725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.766545 (E_RNA)
where:
Base-Base interactions energy: -1829.535
where: short stacking energy: -752.480
Base-Backbone interact. energy: -6.091
local terms energy: -797.141460
where:
bonds (distance) C4'-P energy: -149.452
bonds (distance) P-C4' energy: -160.660
flat angles C4'-P-C4' energy: -159.630
flat angles P-C4'-P energy: -106.422
tors. eta vs tors. theta energy: -220.978
Dist. restrs. and SS energy: 1.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -2485.787752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.787752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.398901 (E_RNA)
where:
Base-Base interactions energy: -1703.065
where: short stacking energy: -721.466
Base-Backbone interact. energy: 3.585
local terms energy: -787.918854
where:
bonds (distance) C4'-P energy: -150.784
bonds (distance) P-C4' energy: -142.798
flat angles C4'-P-C4' energy: -186.670
flat angles P-C4'-P energy: -108.855
tors. eta vs tors. theta energy: -198.811
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: 6
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -2274.186762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.186762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.015931 (E_RNA)
where:
Base-Base interactions energy: -1539.665
where: short stacking energy: -657.228
Base-Backbone interact. energy: -3.672
local terms energy: -733.679283
where:
bonds (distance) C4'-P energy: -125.511
bonds (distance) P-C4' energy: -149.680
flat angles C4'-P-C4' energy: -163.185
flat angles P-C4'-P energy: -119.139
tors. eta vs tors. theta energy: -176.166
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: 466
Temperature: 1.200000
Total energy: -2137.657142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.657142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.646288 (E_RNA)
where:
Base-Base interactions energy: -1459.860
where: short stacking energy: -607.102
Base-Backbone interact. energy: -1.094
local terms energy: -678.692557
where:
bonds (distance) C4'-P energy: -135.224
bonds (distance) P-C4' energy: -133.915
flat angles C4'-P-C4' energy: -148.070
flat angles P-C4'-P energy: -103.518
tors. eta vs tors. theta energy: -157.966
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: 8, replica: 8
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -2044.715198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.715198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.285303 (E_RNA)
where:
Base-Base interactions energy: -1388.048
where: short stacking energy: -600.619
Base-Backbone interact. energy: -2.635
local terms energy: -655.601702
where:
bonds (distance) C4'-P energy: -135.259
bonds (distance) P-C4' energy: -129.779
flat angles C4'-P-C4' energy: -130.569
flat angles P-C4'-P energy: -101.907
tors. eta vs tors. theta energy: -158.087
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: 9, replica: 5
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -1927.060619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.060619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.508902 (E_RNA)
where:
Base-Base interactions energy: -1316.364
where: short stacking energy: -579.461
Base-Backbone interact. energy: -0.538
local terms energy: -612.606699
where:
bonds (distance) C4'-P energy: -96.293
bonds (distance) P-C4' energy: -127.596
flat angles C4'-P-C4' energy: -154.880
flat angles P-C4'-P energy: -80.691
tors. eta vs tors. theta energy: -153.148
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: 10, replica: 4
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -1921.818693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.818693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.065402 (E_RNA)
where:
Base-Base interactions energy: -1310.326
where: short stacking energy: -528.322
Base-Backbone interact. energy: 5.814
local terms energy: -619.554133
where:
bonds (distance) C4'-P energy: -128.308
bonds (distance) P-C4' energy: -130.297
flat angles C4'-P-C4' energy: -129.859
flat angles P-C4'-P energy: -98.382
tors. eta vs tors. theta energy: -132.707
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: 7
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -2928.587240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2928.587240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2931.478139 (E_RNA)
where:
Base-Base interactions energy: -2033.210
where: short stacking energy: -846.165
Base-Backbone interact. energy: -5.190
local terms energy: -893.078362
where:
bonds (distance) C4'-P energy: -144.622
bonds (distance) P-C4' energy: -176.424
flat angles C4'-P-C4' energy: -194.120
flat angles P-C4'-P energy: -132.051
tors. eta vs tors. theta energy: -245.863
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: 2
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -2797.626313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.626313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.841709 (E_RNA)
where:
Base-Base interactions energy: -1928.879
where: short stacking energy: -817.182
Base-Backbone interact. energy: -1.893
local terms energy: -868.069230
where:
bonds (distance) C4'-P energy: -158.937
bonds (distance) P-C4' energy: -170.804
flat angles C4'-P-C4' energy: -179.811
flat angles P-C4'-P energy: -117.138
tors. eta vs tors. theta energy: -241.379
Dist. restrs. and SS energy: 1.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -2688.223495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.223495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.869839 (E_RNA)
where:
Base-Base interactions energy: -1858.455
where: short stacking energy: -768.184
Base-Backbone interact. energy: 4.942
local terms energy: -836.356533
where:
bonds (distance) C4'-P energy: -155.458
bonds (distance) P-C4' energy: -158.683
flat angles C4'-P-C4' energy: -180.097
flat angles P-C4'-P energy: -120.479
tors. eta vs tors. theta energy: -221.640
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: 4, replica: 9
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -2648.598516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.598516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.058971 (E_RNA)
where:
Base-Base interactions energy: -1862.010
where: short stacking energy: -752.648
Base-Backbone interact. energy: -0.117
local terms energy: -787.932194
where:
bonds (distance) C4'-P energy: -138.571
bonds (distance) P-C4' energy: -142.383
flat angles C4'-P-C4' energy: -185.264
flat angles P-C4'-P energy: -111.133
tors. eta vs tors. theta energy: -210.581
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: 5, replica: 3
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -2447.597171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.597171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.116486 (E_RNA)
where:
Base-Base interactions energy: -1685.696
where: short stacking energy: -713.122
Base-Backbone interact. energy: -0.280
local terms energy: -763.140710
where:
bonds (distance) C4'-P energy: -153.499
bonds (distance) P-C4' energy: -144.999
flat angles C4'-P-C4' energy: -167.851
flat angles P-C4'-P energy: -88.646
tors. eta vs tors. theta energy: -208.146
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: 6, replica: 6
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -2268.125116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.125116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.716939 (E_RNA)
where:
Base-Base interactions energy: -1552.521
where: short stacking energy: -634.319
Base-Backbone interact. energy: -1.421
local terms energy: -716.774610
where:
bonds (distance) C4'-P energy: -147.714
bonds (distance) P-C4' energy: -149.375
flat angles C4'-P-C4' energy: -148.878
flat angles P-C4'-P energy: -94.051
tors. eta vs tors. theta energy: -176.757
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: 7, replica: 1
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -2177.355987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.355987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.993974 (E_RNA)
where:
Base-Base interactions energy: -1469.546
where: short stacking energy: -608.235
Base-Backbone interact. energy: -0.296
local terms energy: -710.152876
where:
bonds (distance) C4'-P energy: -143.681
bonds (distance) P-C4' energy: -142.829
flat angles C4'-P-C4' energy: -152.617
flat angles P-C4'-P energy: -104.899
tors. eta vs tors. theta energy: -166.127
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: 8
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -2027.475169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.475169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.336736 (E_RNA)
where:
Base-Base interactions energy: -1407.114
where: short stacking energy: -582.673
Base-Backbone interact. energy: -2.043
local terms energy: -620.179910
where:
bonds (distance) C4'-P energy: -128.277
bonds (distance) P-C4' energy: -147.535
flat angles C4'-P-C4' energy: -125.094
flat angles P-C4'-P energy: -77.904
tors. eta vs tors. theta energy: -141.369
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: 5
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -1861.783818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.783818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.750414 (E_RNA)
where:
Base-Base interactions energy: -1259.729
where: short stacking energy: -532.078
Base-Backbone interact. energy: 2.838
local terms energy: -609.859498
where:
bonds (distance) C4'-P energy: -138.067
bonds (distance) P-C4' energy: -129.626
flat angles C4'-P-C4' energy: -128.444
flat angles P-C4'-P energy: -83.637
tors. eta vs tors. theta energy: -130.086
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: 10, replica: 4
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -1897.438143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.438143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.050132 (E_RNA)
where:
Base-Base interactions energy: -1276.932
where: short stacking energy: -563.899
Base-Backbone interact. energy: 8.714
local terms energy: -632.831571
where:
bonds (distance) C4'-P energy: -116.520
bonds (distance) P-C4' energy: -122.997
flat angles C4'-P-C4' energy: -153.123
flat angles P-C4'-P energy: -91.844
tors. eta vs tors. theta energy: -148.348
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: 1, replica: 7
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -2944.098162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2944.098162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2945.741691 (E_RNA)
where:
Base-Base interactions energy: -2070.522
where: short stacking energy: -852.741
Base-Backbone interact. energy: 4.928
local terms energy: -880.148288
where:
bonds (distance) C4'-P energy: -157.555
bonds (distance) P-C4' energy: -161.940
flat angles C4'-P-C4' energy: -191.271
flat angles P-C4'-P energy: -124.616
tors. eta vs tors. theta energy: -244.765
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: 2, replica: 2
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -2813.375554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.375554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.862150 (E_RNA)
where:
Base-Base interactions energy: -1946.313
where: short stacking energy: -829.050
Base-Backbone interact. energy: 0.909
local terms energy: -870.458551
where:
bonds (distance) C4'-P energy: -158.671
bonds (distance) P-C4' energy: -144.445
flat angles C4'-P-C4' energy: -190.426
flat angles P-C4'-P energy: -129.733
tors. eta vs tors. theta energy: -247.184
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: 3, replica: 10
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -2707.202617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.202617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.671451 (E_RNA)
where:
Base-Base interactions energy: -1868.812
where: short stacking energy: -768.848
Base-Backbone interact. energy: -2.926
local terms energy: -836.933846
where:
bonds (distance) C4'-P energy: -152.503
bonds (distance) P-C4' energy: -159.711
flat angles C4'-P-C4' energy: -188.388
flat angles P-C4'-P energy: -117.342
tors. eta vs tors. theta energy: -218.989
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: 9
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -2582.149430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.149430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.629958 (E_RNA)
where:
Base-Base interactions energy: -1786.045
where: short stacking energy: -709.751
Base-Backbone interact. energy: 6.434
local terms energy: -805.018754
where:
bonds (distance) C4'-P energy: -155.320
bonds (distance) P-C4' energy: -147.533
flat angles C4'-P-C4' energy: -178.206
flat angles P-C4'-P energy: -117.986
tors. eta vs tors. theta energy: -205.973
Dist. restrs. and SS energy: 2.481 (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: 3
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -2476.464357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.464357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.681160 (E_RNA)
where:
Base-Base interactions energy: -1675.492
where: short stacking energy: -712.226
Base-Backbone interact. energy: -3.089
local terms energy: -800.100021
where:
bonds (distance) C4'-P energy: -152.893
bonds (distance) P-C4' energy: -158.432
flat angles C4'-P-C4' energy: -177.399
flat angles P-C4'-P energy: -105.030
tors. eta vs tors. theta energy: -206.345
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: 6, replica: 6
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -2314.541592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.541592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.858664 (E_RNA)
where:
Base-Base interactions energy: -1568.438
where: short stacking energy: -695.098
Base-Backbone interact. energy: -1.171
local terms energy: -747.249682
where:
bonds (distance) C4'-P energy: -128.905
bonds (distance) P-C4' energy: -153.963
flat angles C4'-P-C4' energy: -172.441
flat angles P-C4'-P energy: -101.382
tors. eta vs tors. theta energy: -190.559
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: 1
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -2184.609948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.609948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.552537 (E_RNA)
where:
Base-Base interactions energy: -1471.629
where: short stacking energy: -615.969
Base-Backbone interact. energy: -0.125
local terms energy: -716.798337
where:
bonds (distance) C4'-P energy: -139.315
bonds (distance) P-C4' energy: -131.621
flat angles C4'-P-C4' energy: -168.559
flat angles P-C4'-P energy: -105.121
tors. eta vs tors. theta energy: -172.182
Dist. restrs. and SS energy: 3.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -2029.083245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.083245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.269785 (E_RNA)
where:
Base-Base interactions energy: -1381.545
where: short stacking energy: -591.098
Base-Backbone interact. energy: 0.328
local terms energy: -650.052852
where:
bonds (distance) C4'-P energy: -119.874
bonds (distance) P-C4' energy: -142.114
flat angles C4'-P-C4' energy: -136.966
flat angles P-C4'-P energy: -93.018
tors. eta vs tors. theta energy: -158.081
Dist. restrs. and SS energy: 2.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -1947.050022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.050022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.630096 (E_RNA)
where:
Base-Base interactions energy: -1293.850
where: short stacking energy: -555.193
Base-Backbone interact. energy: 5.724
local terms energy: -663.504499
where:
bonds (distance) C4'-P energy: -145.142
bonds (distance) P-C4' energy: -155.460
flat angles C4'-P-C4' energy: -136.498
flat angles P-C4'-P energy: -83.625
tors. eta vs tors. theta energy: -142.779
Dist. restrs. and SS energy: 4.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -1871.670158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.670158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.594069 (E_RNA)
where:
Base-Base interactions energy: -1247.405
where: short stacking energy: -520.849
Base-Backbone interact. energy: -1.173
local terms energy: -626.015618
where:
bonds (distance) C4'-P energy: -125.846
bonds (distance) P-C4' energy: -124.083
flat angles C4'-P-C4' energy: -148.497
flat angles P-C4'-P energy: -88.062
tors. eta vs tors. theta energy: -139.528
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: 1, replica: 7
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -2934.477852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2934.477852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2937.364894 (E_RNA)
where:
Base-Base interactions energy: -2043.100
where: short stacking energy: -864.707
Base-Backbone interact. energy: -3.560
local terms energy: -890.705706
where:
bonds (distance) C4'-P energy: -145.833
bonds (distance) P-C4' energy: -169.248
flat angles C4'-P-C4' energy: -199.778
flat angles P-C4'-P energy: -124.206
tors. eta vs tors. theta energy: -251.641
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: 2, replica: 2
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -2777.663298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.663298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.738610 (E_RNA)
where:
Base-Base interactions energy: -1903.142
where: short stacking energy: -829.618
Base-Backbone interact. energy: -3.711
local terms energy: -871.885832
where:
bonds (distance) C4'-P energy: -152.634
bonds (distance) P-C4' energy: -172.394
flat angles C4'-P-C4' energy: -180.414
flat angles P-C4'-P energy: -115.284
tors. eta vs tors. theta energy: -251.160
Dist. restrs. and SS energy: 1.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -2719.046883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.046883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.919071 (E_RNA)
where:
Base-Base interactions energy: -1870.281
where: short stacking energy: -783.125
Base-Backbone interact. energy: -2.779
local terms energy: -847.859302
where:
bonds (distance) C4'-P energy: -147.793
bonds (distance) P-C4' energy: -145.465
flat angles C4'-P-C4' energy: -189.471
flat angles P-C4'-P energy: -120.389
tors. eta vs tors. theta energy: -244.742
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: 4, replica: 9
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -2654.242732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.242732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.032016 (E_RNA)
where:
Base-Base interactions energy: -1824.172
where: short stacking energy: -782.922
Base-Backbone interact. energy: -1.521
local terms energy: -832.339079
where:
bonds (distance) C4'-P energy: -145.506
bonds (distance) P-C4' energy: -166.024
flat angles C4'-P-C4' energy: -176.868
flat angles P-C4'-P energy: -115.340
tors. eta vs tors. theta energy: -228.601
Dist. restrs. and SS energy: 3.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -2471.239966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.239966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.951068 (E_RNA)
where:
Base-Base interactions energy: -1695.498
where: short stacking energy: -716.975
Base-Backbone interact. energy: -1.601
local terms energy: -775.851977
where:
bonds (distance) C4'-P energy: -135.543
bonds (distance) P-C4' energy: -150.524
flat angles C4'-P-C4' energy: -167.705
flat angles P-C4'-P energy: -110.526
tors. eta vs tors. theta energy: -211.554
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: 6, replica: 6
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -2284.318167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.318167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.158637 (E_RNA)
where:
Base-Base interactions energy: -1542.442
where: short stacking energy: -641.632
Base-Backbone interact. energy: 3.702
local terms energy: -747.418286
where:
bonds (distance) C4'-P energy: -149.088
bonds (distance) P-C4' energy: -156.920
flat angles C4'-P-C4' energy: -160.733
flat angles P-C4'-P energy: -105.274
tors. eta vs tors. theta energy: -175.403
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: 7, replica: 1
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -2184.239247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.239247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.033563 (E_RNA)
where:
Base-Base interactions energy: -1492.493
where: short stacking energy: -639.036
Base-Backbone interact. energy: -1.833
local terms energy: -692.707470
where:
bonds (distance) C4'-P energy: -124.677
bonds (distance) P-C4' energy: -138.862
flat angles C4'-P-C4' energy: -162.837
flat angles P-C4'-P energy: -84.942
tors. eta vs tors. theta energy: -181.389
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: 8, replica: 8
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -2004.013282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.013282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.737494 (E_RNA)
where:
Base-Base interactions energy: -1347.441
where: short stacking energy: -569.216
Base-Backbone interact. energy: 6.058
local terms energy: -665.354593
where:
bonds (distance) C4'-P energy: -118.774
bonds (distance) P-C4' energy: -144.571
flat angles C4'-P-C4' energy: -164.387
flat angles P-C4'-P energy: -92.694
tors. eta vs tors. theta energy: -144.928
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: 5
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -1914.097478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.097478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.368813 (E_RNA)
where:
Base-Base interactions energy: -1309.953
where: short stacking energy: -549.144
Base-Backbone interact. energy: 1.276
local terms energy: -606.691585
where:
bonds (distance) C4'-P energy: -110.270
bonds (distance) P-C4' energy: -128.441
flat angles C4'-P-C4' energy: -140.776
flat angles P-C4'-P energy: -92.138
tors. eta vs tors. theta energy: -135.066
Dist. restrs. and SS energy: 1.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -1873.129630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.129630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.924236 (E_RNA)
where:
Base-Base interactions energy: -1254.488
where: short stacking energy: -544.910
Base-Backbone interact. energy: 3.161
local terms energy: -627.597211
where:
bonds (distance) C4'-P energy: -114.198
bonds (distance) P-C4' energy: -125.745
flat angles C4'-P-C4' energy: -147.610
flat angles P-C4'-P energy: -92.107
tors. eta vs tors. theta energy: -147.937
Dist. restrs. and SS energy: 5.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -2906.346175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2906.346175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2907.717651 (E_RNA)
where:
Base-Base interactions energy: -2031.335
where: short stacking energy: -841.130
Base-Backbone interact. energy: 2.877
local terms energy: -879.259992
where:
bonds (distance) C4'-P energy: -166.190
bonds (distance) P-C4' energy: -166.496
flat angles C4'-P-C4' energy: -171.617
flat angles P-C4'-P energy: -126.688
tors. eta vs tors. theta energy: -248.269
Dist. restrs. and SS energy: 1.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -2817.631614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.631614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.620092 (E_RNA)
where:
Base-Base interactions energy: -1947.106
where: short stacking energy: -822.832
Base-Backbone interact. energy: 4.051
local terms energy: -876.565530
where:
bonds (distance) C4'-P energy: -159.862
bonds (distance) P-C4' energy: -173.408
flat angles C4'-P-C4' energy: -190.770
flat angles P-C4'-P energy: -117.843
tors. eta vs tors. theta energy: -234.683
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: 3, replica: 10
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -2722.263644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.263644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.452595 (E_RNA)
where:
Base-Base interactions energy: -1900.264
where: short stacking energy: -790.642
Base-Backbone interact. energy: -0.959
local terms energy: -822.229406
where:
bonds (distance) C4'-P energy: -134.813
bonds (distance) P-C4' energy: -150.480
flat angles C4'-P-C4' energy: -180.691
flat angles P-C4'-P energy: -123.890
tors. eta vs tors. theta energy: -232.355
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: 4, replica: 9
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -2609.616351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.616351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.707008 (E_RNA)
where:
Base-Base interactions energy: -1815.244
where: short stacking energy: -745.106
Base-Backbone interact. energy: -1.262
local terms energy: -795.201220
where:
bonds (distance) C4'-P energy: -131.976
bonds (distance) P-C4' energy: -156.834
flat angles C4'-P-C4' energy: -170.502
flat angles P-C4'-P energy: -117.713
tors. eta vs tors. theta energy: -218.177
Dist. restrs. and SS energy: 2.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -2464.300695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.300695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.286014 (E_RNA)
where:
Base-Base interactions energy: -1720.430
where: short stacking energy: -686.935
Base-Backbone interact. energy: 1.246
local terms energy: -747.101437
where:
bonds (distance) C4'-P energy: -144.411
bonds (distance) P-C4' energy: -150.053
flat angles C4'-P-C4' energy: -164.300
flat angles P-C4'-P energy: -91.426
tors. eta vs tors. theta energy: -196.911
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: 6, replica: 6
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -2272.632206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.632206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.467771 (E_RNA)
where:
Base-Base interactions energy: -1568.604
where: short stacking energy: -674.427
Base-Backbone interact. energy: -2.429
local terms energy: -705.435194
where:
bonds (distance) C4'-P energy: -148.276
bonds (distance) P-C4' energy: -128.064
flat angles C4'-P-C4' energy: -150.412
flat angles P-C4'-P energy: -82.474
tors. eta vs tors. theta energy: -196.208
Dist. restrs. and SS energy: 3.836 (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: 1
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -2161.951502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.951502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.023821 (E_RNA)
where:
Base-Base interactions energy: -1482.864
where: short stacking energy: -629.391
Base-Backbone interact. energy: 2.091
local terms energy: -683.251078
where:
bonds (distance) C4'-P energy: -128.196
bonds (distance) P-C4' energy: -136.188
flat angles C4'-P-C4' energy: -139.714
flat angles P-C4'-P energy: -108.822
tors. eta vs tors. theta energy: -170.331
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: 8, replica: 8
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -2059.090644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.090644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.866506 (E_RNA)
where:
Base-Base interactions energy: -1395.409
where: short stacking energy: -595.492
Base-Backbone interact. energy: -2.845
local terms energy: -662.613442
where:
bonds (distance) C4'-P energy: -132.513
bonds (distance) P-C4' energy: -129.051
flat angles C4'-P-C4' energy: -148.083
flat angles P-C4'-P energy: -100.240
tors. eta vs tors. theta energy: -152.726
Dist. restrs. and SS energy: 1.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -1907.100720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.100720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.726761 (E_RNA)
where:
Base-Base interactions energy: -1286.879
where: short stacking energy: -529.885
Base-Backbone interact. energy: -3.213
local terms energy: -619.634651
where:
bonds (distance) C4'-P energy: -104.812
bonds (distance) P-C4' energy: -134.319
flat angles C4'-P-C4' energy: -151.086
flat angles P-C4'-P energy: -96.591
tors. eta vs tors. theta energy: -132.826
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: 10, replica: 5
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -1870.414051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.414051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.757807 (E_RNA)
where:
Base-Base interactions energy: -1265.794
where: short stacking energy: -515.173
Base-Backbone interact. energy: 1.603
local terms energy: -608.566125
where:
bonds (distance) C4'-P energy: -120.294
bonds (distance) P-C4' energy: -137.068
flat angles C4'-P-C4' energy: -142.193
flat angles P-C4'-P energy: -79.960
tors. eta vs tors. theta energy: -129.051
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: 1, replica: 7
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -2934.404472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2934.404472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2935.844820 (E_RNA)
where:
Base-Base interactions energy: -2032.458
where: short stacking energy: -845.844
Base-Backbone interact. energy: -3.199
local terms energy: -900.187704
where:
bonds (distance) C4'-P energy: -165.715
bonds (distance) P-C4' energy: -161.271
flat angles C4'-P-C4' energy: -175.091
flat angles P-C4'-P energy: -135.503
tors. eta vs tors. theta energy: -262.608
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: 10
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -2788.495815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.495815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.908330 (E_RNA)
where:
Base-Base interactions energy: -1942.498
where: short stacking energy: -807.368
Base-Backbone interact. energy: 1.397
local terms energy: -848.806757
where:
bonds (distance) C4'-P energy: -146.564
bonds (distance) P-C4' energy: -165.573
flat angles C4'-P-C4' energy: -184.013
flat angles P-C4'-P energy: -118.305
tors. eta vs tors. theta energy: -234.353
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: 3, replica: 2
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -2754.752924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.752924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.786862 (E_RNA)
where:
Base-Base interactions energy: -1913.571
where: short stacking energy: -797.877
Base-Backbone interact. energy: 1.262
local terms energy: -844.477847
where:
bonds (distance) C4'-P energy: -148.642
bonds (distance) P-C4' energy: -164.189
flat angles C4'-P-C4' energy: -170.992
flat angles P-C4'-P energy: -114.494
tors. eta vs tors. theta energy: -246.160
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: 4, replica: 9
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -2603.652555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.652555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.873598 (E_RNA)
where:
Base-Base interactions energy: -1801.976
where: short stacking energy: -753.502
Base-Backbone interact. energy: 0.623
local terms energy: -803.520621
where:
bonds (distance) C4'-P energy: -129.410
bonds (distance) P-C4' energy: -166.941
flat angles C4'-P-C4' energy: -166.430
flat angles P-C4'-P energy: -117.875
tors. eta vs tors. theta energy: -222.865
Dist. restrs. and SS energy: 1.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -2474.631914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.631914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.622995 (E_RNA)
where:
Base-Base interactions energy: -1673.532
where: short stacking energy: -716.615
Base-Backbone interact. energy: -2.991
local terms energy: -801.099899
where:
bonds (distance) C4'-P energy: -156.079
bonds (distance) P-C4' energy: -156.368
flat angles C4'-P-C4' energy: -168.362
flat angles P-C4'-P energy: -111.114
tors. eta vs tors. theta energy: -209.177
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: 6, replica: 1
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -2309.798055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.798055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.556561 (E_RNA)
where:
Base-Base interactions energy: -1566.913
where: short stacking energy: -667.184
Base-Backbone interact. energy: -2.400
local terms energy: -744.243550
where:
bonds (distance) C4'-P energy: -151.683
bonds (distance) P-C4' energy: -158.077
flat angles C4'-P-C4' energy: -163.046
flat angles P-C4'-P energy: -96.925
tors. eta vs tors. theta energy: -174.512
Dist. restrs. and SS energy: 3.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -2215.590109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.590109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.262966 (E_RNA)
where:
Base-Base interactions energy: -1545.523
where: short stacking energy: -643.986
Base-Backbone interact. energy: -0.898
local terms energy: -672.842622
where:
bonds (distance) C4'-P energy: -131.347
bonds (distance) P-C4' energy: -117.558
flat angles C4'-P-C4' energy: -140.791
flat angles P-C4'-P energy: -100.917
tors. eta vs tors. theta energy: -182.228
Dist. restrs. and SS energy: 3.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -1990.667787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.667787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.343938 (E_RNA)
where:
Base-Base interactions energy: -1341.019
where: short stacking energy: -560.327
Base-Backbone interact. energy: -1.773
local terms energy: -651.551994
where:
bonds (distance) C4'-P energy: -131.773
bonds (distance) P-C4' energy: -131.912
flat angles C4'-P-C4' energy: -161.278
flat angles P-C4'-P energy: -83.142
tors. eta vs tors. theta energy: -143.446
Dist. restrs. and SS energy: 3.676 (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: 4
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -1934.661626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.661626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.392963 (E_RNA)
where:
Base-Base interactions energy: -1326.558
where: short stacking energy: -542.894
Base-Backbone interact. energy: -0.588
local terms energy: -611.247756
where:
bonds (distance) C4'-P energy: -118.229
bonds (distance) P-C4' energy: -129.855
flat angles C4'-P-C4' energy: -139.851
flat angles P-C4'-P energy: -92.555
tors. eta vs tors. theta energy: -130.757
Dist. restrs. and SS energy: 3.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -1828.176002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.176002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.582627 (E_RNA)
where:
Base-Base interactions energy: -1227.348
where: short stacking energy: -527.432
Base-Backbone interact. energy: 1.783
local terms energy: -606.018051
where:
bonds (distance) C4'-P energy: -124.539
bonds (distance) P-C4' energy: -138.712
flat angles C4'-P-C4' energy: -132.456
flat angles P-C4'-P energy: -78.595
tors. eta vs tors. theta energy: -131.716
Dist. restrs. and SS energy: 3.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -2943.173371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2943.173371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2944.909881 (E_RNA)
where:
Base-Base interactions energy: -2046.541
where: short stacking energy: -859.719
Base-Backbone interact. energy: -4.916
local terms energy: -893.452473
where:
bonds (distance) C4'-P energy: -162.733
bonds (distance) P-C4' energy: -163.096
flat angles C4'-P-C4' energy: -179.585
flat angles P-C4'-P energy: -129.981
tors. eta vs tors. theta energy: -258.056
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: 2, replica: 10
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -2786.187113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.187113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.164010 (E_RNA)
where:
Base-Base interactions energy: -1937.684
where: short stacking energy: -833.393
Base-Backbone interact. energy: -0.959
local terms energy: -848.520809
where:
bonds (distance) C4'-P energy: -143.871
bonds (distance) P-C4' energy: -162.753
flat angles C4'-P-C4' energy: -175.717
flat angles P-C4'-P energy: -123.829
tors. eta vs tors. theta energy: -242.351
Dist. restrs. and SS energy: 0.977 (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: 2
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -2726.516370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.516370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.872982 (E_RNA)
where:
Base-Base interactions energy: -1882.112
where: short stacking energy: -823.701
Base-Backbone interact. energy: -3.110
local terms energy: -843.651440
where:
bonds (distance) C4'-P energy: -146.716
bonds (distance) P-C4' energy: -161.132
flat angles C4'-P-C4' energy: -188.092
flat angles P-C4'-P energy: -114.559
tors. eta vs tors. theta energy: -233.152
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: 9
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -2568.562332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.562332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.717904 (E_RNA)
where:
Base-Base interactions energy: -1763.375
where: short stacking energy: -752.825
Base-Backbone interact. energy: -6.028
local terms energy: -801.315019
where:
bonds (distance) C4'-P energy: -156.227
bonds (distance) P-C4' energy: -145.204
flat angles C4'-P-C4' energy: -162.817
flat angles P-C4'-P energy: -117.177
tors. eta vs tors. theta energy: -219.889
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: 3
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -2483.540652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.540652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.154941 (E_RNA)
where:
Base-Base interactions energy: -1730.314
where: short stacking energy: -724.244
Base-Backbone interact. energy: -2.001
local terms energy: -752.839238
where:
bonds (distance) C4'-P energy: -142.502
bonds (distance) P-C4' energy: -136.326
flat angles C4'-P-C4' energy: -168.537
flat angles P-C4'-P energy: -102.667
tors. eta vs tors. theta energy: -202.807
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: 6, replica: 1
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -2348.926330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.926330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.361349 (E_RNA)
where:
Base-Base interactions energy: -1596.169
where: short stacking energy: -678.036
Base-Backbone interact. energy: -4.492
local terms energy: -750.700927
where:
bonds (distance) C4'-P energy: -146.424
bonds (distance) P-C4' energy: -144.504
flat angles C4'-P-C4' energy: -148.452
flat angles P-C4'-P energy: -108.644
tors. eta vs tors. theta energy: -202.677
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: 6
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -2224.514121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.514121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.444634 (E_RNA)
where:
Base-Base interactions energy: -1544.541
where: short stacking energy: -642.559
Base-Backbone interact. energy: 2.880
local terms energy: -684.783386
where:
bonds (distance) C4'-P energy: -135.883
bonds (distance) P-C4' energy: -133.652
flat angles C4'-P-C4' energy: -153.160
flat angles P-C4'-P energy: -88.822
tors. eta vs tors. theta energy: -173.266
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: 8, replica: 8
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -2010.764343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.764343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.984987 (E_RNA)
where:
Base-Base interactions energy: -1359.905
where: short stacking energy: -582.102
Base-Backbone interact. energy: -0.566
local terms energy: -652.513953
where:
bonds (distance) C4'-P energy: -134.585
bonds (distance) P-C4' energy: -134.804
flat angles C4'-P-C4' energy: -151.574
flat angles P-C4'-P energy: -83.717
tors. eta vs tors. theta energy: -147.835
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: 9, replica: 4
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -1967.465964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.465964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.189136 (E_RNA)
where:
Base-Base interactions energy: -1311.035
where: short stacking energy: -553.894
Base-Backbone interact. energy: -0.449
local terms energy: -658.705510
where:
bonds (distance) C4'-P energy: -127.624
bonds (distance) P-C4' energy: -143.203
flat angles C4'-P-C4' energy: -147.424
flat angles P-C4'-P energy: -85.637
tors. eta vs tors. theta energy: -154.817
Dist. restrs. and SS energy: 2.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -1831.130731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.130731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.470115 (E_RNA)
where:
Base-Base interactions energy: -1224.651
where: short stacking energy: -521.685
Base-Backbone interact. energy: -0.123
local terms energy: -611.696014
where:
bonds (distance) C4'-P energy: -117.124
bonds (distance) P-C4' energy: -144.943
flat angles C4'-P-C4' energy: -145.737
flat angles P-C4'-P energy: -81.979
tors. eta vs tors. theta energy: -121.914
Dist. restrs. and SS energy: 5.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -2935.880212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2935.880212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2936.984523 (E_RNA)
where:
Base-Base interactions energy: -2021.147
where: short stacking energy: -854.604
Base-Backbone interact. energy: -4.036
local terms energy: -911.800938
where:
bonds (distance) C4'-P energy: -159.497
bonds (distance) P-C4' energy: -179.932
flat angles C4'-P-C4' energy: -193.124
flat angles P-C4'-P energy: -132.426
tors. eta vs tors. theta energy: -246.823
Dist. restrs. and SS energy: 1.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -2814.215689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.215689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.221852 (E_RNA)
where:
Base-Base interactions energy: -1944.246
where: short stacking energy: -811.766
Base-Backbone interact. energy: -4.736
local terms energy: -867.239661
where:
bonds (distance) C4'-P energy: -146.001
bonds (distance) P-C4' energy: -151.432
flat angles C4'-P-C4' energy: -200.149
flat angles P-C4'-P energy: -126.527
tors. eta vs tors. theta energy: -243.131
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: 3, replica: 2
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -2710.265613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.265613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.665504 (E_RNA)
where:
Base-Base interactions energy: -1889.707
where: short stacking energy: -787.218
Base-Backbone interact. energy: -2.960
local terms energy: -819.998198
where:
bonds (distance) C4'-P energy: -153.591
bonds (distance) P-C4' energy: -146.329
flat angles C4'-P-C4' energy: -185.738
flat angles P-C4'-P energy: -109.575
tors. eta vs tors. theta energy: -224.765
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: 4, replica: 9
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -2565.303495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.303495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.449217 (E_RNA)
where:
Base-Base interactions energy: -1757.731
where: short stacking energy: -737.239
Base-Backbone interact. energy: -4.846
local terms energy: -804.872558
where:
bonds (distance) C4'-P energy: -149.494
bonds (distance) P-C4' energy: -155.964
flat angles C4'-P-C4' energy: -167.232
flat angles P-C4'-P energy: -112.172
tors. eta vs tors. theta energy: -220.011
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: 5, replica: 3
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -2430.678472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.678472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.629945 (E_RNA)
where:
Base-Base interactions energy: -1684.850
where: short stacking energy: -736.270
Base-Backbone interact. energy: 1.073
local terms energy: -749.852729
where:
bonds (distance) C4'-P energy: -134.185
bonds (distance) P-C4' energy: -152.789
flat angles C4'-P-C4' energy: -160.155
flat angles P-C4'-P energy: -96.981
tors. eta vs tors. theta energy: -205.744
Dist. restrs. and SS energy: 2.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -2362.783454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.783454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.849741 (E_RNA)
where:
Base-Base interactions energy: -1645.188
where: short stacking energy: -682.171
Base-Backbone interact. energy: 0.871
local terms energy: -719.532235
where:
bonds (distance) C4'-P energy: -126.339
bonds (distance) P-C4' energy: -143.036
flat angles C4'-P-C4' energy: -149.982
flat angles P-C4'-P energy: -93.472
tors. eta vs tors. theta energy: -206.704
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: 7, replica: 6
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -2228.539522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.539522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.587372 (E_RNA)
where:
Base-Base interactions energy: -1529.470
where: short stacking energy: -635.758
Base-Backbone interact. energy: -0.694
local terms energy: -700.423211
where:
bonds (distance) C4'-P energy: -129.185
bonds (distance) P-C4' energy: -138.526
flat angles C4'-P-C4' energy: -155.774
flat angles P-C4'-P energy: -105.320
tors. eta vs tors. theta energy: -171.618
Dist. restrs. and SS energy: 2.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -2079.539016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.539016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.900768 (E_RNA)
where:
Base-Base interactions energy: -1390.221
where: short stacking energy: -617.195
Base-Backbone interact. energy: 1.604
local terms energy: -693.283719
where:
bonds (distance) C4'-P energy: -135.137
bonds (distance) P-C4' energy: -131.547
flat angles C4'-P-C4' energy: -144.695
flat angles P-C4'-P energy: -100.507
tors. eta vs tors. theta energy: -181.398
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: 9, replica: 4
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -1893.645925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.645925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.988228 (E_RNA)
where:
Base-Base interactions energy: -1310.848
where: short stacking energy: -551.483
Base-Backbone interact. energy: -3.369
local terms energy: -582.771244
where:
bonds (distance) C4'-P energy: -123.476
bonds (distance) P-C4' energy: -127.767
flat angles C4'-P-C4' energy: -120.302
flat angles P-C4'-P energy: -85.121
tors. eta vs tors. theta energy: -126.105
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: 10, replica: 5
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -1863.549694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.549694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.706716 (E_RNA)
where:
Base-Base interactions energy: -1273.842
where: short stacking energy: -523.205
Base-Backbone interact. energy: 0.264
local terms energy: -593.128805
where:
bonds (distance) C4'-P energy: -119.021
bonds (distance) P-C4' energy: -143.854
flat angles C4'-P-C4' energy: -143.777
flat angles P-C4'-P energy: -61.958
tors. eta vs tors. theta energy: -124.519
Dist. restrs. and SS energy: 3.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -2972.858015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2972.858015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2973.957662 (E_RNA)
where:
Base-Base interactions energy: -2086.808
where: short stacking energy: -866.831
Base-Backbone interact. energy: -2.965
local terms energy: -884.185003
where:
bonds (distance) C4'-P energy: -159.374
bonds (distance) P-C4' energy: -164.971
flat angles C4'-P-C4' energy: -191.943
flat angles P-C4'-P energy: -126.811
tors. eta vs tors. theta energy: -241.085
Dist. restrs. and SS energy: 1.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -2795.015396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.015396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.038804 (E_RNA)
where:
Base-Base interactions energy: -1926.452
where: short stacking energy: -784.564
Base-Backbone interact. energy: -4.582
local terms energy: -866.005000
where:
bonds (distance) C4'-P energy: -165.936
bonds (distance) P-C4' energy: -162.885
flat angles C4'-P-C4' energy: -187.230
flat angles P-C4'-P energy: -114.260
tors. eta vs tors. theta energy: -235.693
Dist. restrs. and SS energy: 2.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -2721.723415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.723415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.233129 (E_RNA)
where:
Base-Base interactions energy: -1912.630
where: short stacking energy: -824.176
Base-Backbone interact. energy: -2.885
local terms energy: -808.717853
where:
bonds (distance) C4'-P energy: -143.242
bonds (distance) P-C4' energy: -153.632
flat angles C4'-P-C4' energy: -164.650
flat angles P-C4'-P energy: -121.520
tors. eta vs tors. theta energy: -225.673
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: 4, replica: 9
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -2596.211976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.211976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.309583 (E_RNA)
where:
Base-Base interactions energy: -1793.659
where: short stacking energy: -757.640
Base-Backbone interact. energy: 0.411
local terms energy: -804.061778
where:
bonds (distance) C4'-P energy: -135.389
bonds (distance) P-C4' energy: -153.697
flat angles C4'-P-C4' energy: -181.211
flat angles P-C4'-P energy: -105.943
tors. eta vs tors. theta energy: -227.822
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: 5, replica: 3
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -2451.667906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.667906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.932541 (E_RNA)
where:
Base-Base interactions energy: -1690.557
where: short stacking energy: -714.590
Base-Backbone interact. energy: 3.611
local terms energy: -766.986137
where:
bonds (distance) C4'-P energy: -136.274
bonds (distance) P-C4' energy: -138.322
flat angles C4'-P-C4' energy: -175.528
flat angles P-C4'-P energy: -111.453
tors. eta vs tors. theta energy: -205.409
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: 6, replica: 1
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -2359.543183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.543183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.862036 (E_RNA)
where:
Base-Base interactions energy: -1619.874
where: short stacking energy: -677.398
Base-Backbone interact. energy: 5.891
local terms energy: -747.878299
where:
bonds (distance) C4'-P energy: -131.980
bonds (distance) P-C4' energy: -151.746
flat angles C4'-P-C4' energy: -156.199
flat angles P-C4'-P energy: -115.366
tors. eta vs tors. theta energy: -192.588
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: 7, replica: 6
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -2200.026754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.026754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.616632 (E_RNA)
where:
Base-Base interactions energy: -1506.501
where: short stacking energy: -622.511
Base-Backbone interact. energy: -2.074
local terms energy: -694.041067
where:
bonds (distance) C4'-P energy: -138.456
bonds (distance) P-C4' energy: -127.645
flat angles C4'-P-C4' energy: -160.957
flat angles P-C4'-P energy: -95.482
tors. eta vs tors. theta energy: -171.501
Dist. restrs. and SS energy: 2.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -2085.046857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.046857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.807468 (E_RNA)
where:
Base-Base interactions energy: -1428.141
where: short stacking energy: -581.360
Base-Backbone interact. energy: 0.158
local terms energy: -659.824377
where:
bonds (distance) C4'-P energy: -128.954
bonds (distance) P-C4' energy: -136.349
flat angles C4'-P-C4' energy: -144.815
flat angles P-C4'-P energy: -93.067
tors. eta vs tors. theta energy: -156.640
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: 4
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -1922.833930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.833930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.271879 (E_RNA)
where:
Base-Base interactions energy: -1289.896
where: short stacking energy: -545.199
Base-Backbone interact. energy: -0.847
local terms energy: -634.528839
where:
bonds (distance) C4'-P energy: -132.110
bonds (distance) P-C4' energy: -137.835
flat angles C4'-P-C4' energy: -145.068
flat angles P-C4'-P energy: -85.187
tors. eta vs tors. theta energy: -134.328
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: 10, replica: 5
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -1830.170150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.170150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.117824 (E_RNA)
where:
Base-Base interactions energy: -1258.054
where: short stacking energy: -536.221
Base-Backbone interact. energy: -1.857
local terms energy: -578.206772
where:
bonds (distance) C4'-P energy: -112.636
bonds (distance) P-C4' energy: -128.442
flat angles C4'-P-C4' energy: -132.368
flat angles P-C4'-P energy: -80.184
tors. eta vs tors. theta energy: -124.577
Dist. restrs. and SS energy: 7.948 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -2958.597027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2958.597027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2959.780415 (E_RNA)
where:
Base-Base interactions energy: -2037.125
where: short stacking energy: -870.537
Base-Backbone interact. energy: -2.601
local terms energy: -920.054757
where:
bonds (distance) C4'-P energy: -166.758
bonds (distance) P-C4' energy: -176.197
flat angles C4'-P-C4' energy: -187.842
flat angles P-C4'-P energy: -131.323
tors. eta vs tors. theta energy: -257.936
Dist. restrs. and SS energy: 1.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -2808.817380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.817380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.864767 (E_RNA)
where:
Base-Base interactions energy: -1942.597
where: short stacking energy: -806.586
Base-Backbone interact. energy: 0.118
local terms energy: -867.385744
where:
bonds (distance) C4'-P energy: -163.951
bonds (distance) P-C4' energy: -158.769
flat angles C4'-P-C4' energy: -192.100
flat angles P-C4'-P energy: -127.723
tors. eta vs tors. theta energy: -224.843
Dist. restrs. and SS energy: 1.047 (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: 2
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -2738.288140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.288140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.098936 (E_RNA)
where:
Base-Base interactions energy: -1902.036
where: short stacking energy: -830.921
Base-Backbone interact. energy: -1.926
local terms energy: -836.136846
where:
bonds (distance) C4'-P energy: -153.756
bonds (distance) P-C4' energy: -153.802
flat angles C4'-P-C4' energy: -177.960
flat angles P-C4'-P energy: -118.951
tors. eta vs tors. theta energy: -231.668
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: 4, replica: 9
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -2579.888222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.888222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.131433 (E_RNA)
where:
Base-Base interactions energy: -1768.762
where: short stacking energy: -770.338
Base-Backbone interact. energy: -3.015
local terms energy: -809.354197
where:
bonds (distance) C4'-P energy: -132.288
bonds (distance) P-C4' energy: -152.944
flat angles C4'-P-C4' energy: -167.544
flat angles P-C4'-P energy: -128.278
tors. eta vs tors. theta energy: -228.300
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: 3
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -2499.874915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.874915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.745175 (E_RNA)
where:
Base-Base interactions energy: -1744.198
where: short stacking energy: -729.392
Base-Backbone interact. energy: -0.617
local terms energy: -756.930610
where:
bonds (distance) C4'-P energy: -146.385
bonds (distance) P-C4' energy: -128.224
flat angles C4'-P-C4' energy: -157.859
flat angles P-C4'-P energy: -110.762
tors. eta vs tors. theta energy: -213.701
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: 6, replica: 1
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -2391.557044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.557044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.394846 (E_RNA)
where:
Base-Base interactions energy: -1654.383
where: short stacking energy: -705.999
Base-Backbone interact. energy: 0.616
local terms energy: -739.627464
where:
bonds (distance) C4'-P energy: -142.329
bonds (distance) P-C4' energy: -132.662
flat angles C4'-P-C4' energy: -155.141
flat angles P-C4'-P energy: -97.583
tors. eta vs tors. theta energy: -211.912
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: 7, replica: 6
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -2201.382378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.382378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.567000 (E_RNA)
where:
Base-Base interactions energy: -1486.118
where: short stacking energy: -621.724
Base-Backbone interact. energy: -0.288
local terms energy: -718.161765
where:
bonds (distance) C4'-P energy: -137.559
bonds (distance) P-C4' energy: -135.935
flat angles C4'-P-C4' energy: -155.160
flat angles P-C4'-P energy: -110.025
tors. eta vs tors. theta energy: -179.483
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: 8, replica: 8
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -2039.987613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.987613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.273593 (E_RNA)
where:
Base-Base interactions energy: -1388.432
where: short stacking energy: -582.222
Base-Backbone interact. energy: -0.862
local terms energy: -651.979405
where:
bonds (distance) C4'-P energy: -131.549
bonds (distance) P-C4' energy: -138.299
flat angles C4'-P-C4' energy: -148.367
flat angles P-C4'-P energy: -82.369
tors. eta vs tors. theta energy: -151.395
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: 9, replica: 4
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -1971.013147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.013147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.571392 (E_RNA)
where:
Base-Base interactions energy: -1363.383
where: short stacking energy: -570.151
Base-Backbone interact. energy: 2.880
local terms energy: -613.068252
where:
bonds (distance) C4'-P energy: -97.463
bonds (distance) P-C4' energy: -118.358
flat angles C4'-P-C4' energy: -144.762
flat angles P-C4'-P energy: -96.640
tors. eta vs tors. theta energy: -155.845
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: 5
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -1843.589985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.589985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.589408 (E_RNA)
where:
Base-Base interactions energy: -1214.209
where: short stacking energy: -518.717
Base-Backbone interact. energy: 2.420
local terms energy: -636.800877
where:
bonds (distance) C4'-P energy: -146.665
bonds (distance) P-C4' energy: -134.637
flat angles C4'-P-C4' energy: -138.054
flat angles P-C4'-P energy: -84.197
tors. eta vs tors. theta energy: -133.248
Dist. restrs. and SS energy: 4.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -2955.394364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2955.394364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2957.145877 (E_RNA)
where:
Base-Base interactions energy: -2045.147
where: short stacking energy: -844.699
Base-Backbone interact. energy: -3.798
local terms energy: -908.200532
where:
bonds (distance) C4'-P energy: -159.058
bonds (distance) P-C4' energy: -180.887
flat angles C4'-P-C4' energy: -183.521
flat angles P-C4'-P energy: -137.901
tors. eta vs tors. theta energy: -246.833
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: 2, replica: 10
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -2801.687945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.687945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.288496 (E_RNA)
where:
Base-Base interactions energy: -1934.163
where: short stacking energy: -822.894
Base-Backbone interact. energy: 7.114
local terms energy: -876.239950
where:
bonds (distance) C4'-P energy: -162.710
bonds (distance) P-C4' energy: -144.260
flat angles C4'-P-C4' energy: -198.676
flat angles P-C4'-P energy: -131.625
tors. eta vs tors. theta energy: -238.969
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: 3, replica: 2
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -2718.900510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.900510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.671000 (E_RNA)
where:
Base-Base interactions energy: -1871.913
where: short stacking energy: -771.180
Base-Backbone interact. energy: 0.783
local terms energy: -849.541271
where:
bonds (distance) C4'-P energy: -156.526
bonds (distance) P-C4' energy: -165.647
flat angles C4'-P-C4' energy: -174.573
flat angles P-C4'-P energy: -123.328
tors. eta vs tors. theta energy: -229.467
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: 4, replica: 9
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -2591.870360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.870360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.986044 (E_RNA)
where:
Base-Base interactions energy: -1811.979
where: short stacking energy: -742.950
Base-Backbone interact. energy: -2.134
local terms energy: -779.872630
where:
bonds (distance) C4'-P energy: -134.795
bonds (distance) P-C4' energy: -150.621
flat angles C4'-P-C4' energy: -173.940
flat angles P-C4'-P energy: -110.281
tors. eta vs tors. theta energy: -210.235
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: 3
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -2460.210707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.210707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.898815 (E_RNA)
where:
Base-Base interactions energy: -1676.506
where: short stacking energy: -695.538
Base-Backbone interact. energy: -5.904
local terms energy: -780.488875
where:
bonds (distance) C4'-P energy: -159.101
bonds (distance) P-C4' energy: -166.004
flat angles C4'-P-C4' energy: -162.492
flat angles P-C4'-P energy: -106.658
tors. eta vs tors. theta energy: -186.233
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: 6, replica: 1
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -2347.002308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.002308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.635396 (E_RNA)
where:
Base-Base interactions energy: -1628.952
where: short stacking energy: -675.104
Base-Backbone interact. energy: -1.367
local terms energy: -718.316397
where:
bonds (distance) C4'-P energy: -138.184
bonds (distance) P-C4' energy: -130.317
flat angles C4'-P-C4' energy: -161.145
flat angles P-C4'-P energy: -100.980
tors. eta vs tors. theta energy: -187.691
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: 7, replica: 6
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -2217.927265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.927265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.082876 (E_RNA)
where:
Base-Base interactions energy: -1527.515
where: short stacking energy: -663.285
Base-Backbone interact. energy: -3.183
local terms energy: -689.385029
where:
bonds (distance) C4'-P energy: -122.859
bonds (distance) P-C4' energy: -137.420
flat angles C4'-P-C4' energy: -159.747
flat angles P-C4'-P energy: -80.836
tors. eta vs tors. theta energy: -188.523
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: 8, replica: 8
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -2034.644491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.644491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.370300 (E_RNA)
where:
Base-Base interactions energy: -1377.900
where: short stacking energy: -544.345
Base-Backbone interact. energy: -2.582
local terms energy: -656.888241
where:
bonds (distance) C4'-P energy: -128.002
bonds (distance) P-C4' energy: -128.168
flat angles C4'-P-C4' energy: -159.561
flat angles P-C4'-P energy: -91.988
tors. eta vs tors. theta energy: -149.169
Dist. restrs. and SS energy: 2.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -1933.285566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.285566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.595002 (E_RNA)
where:
Base-Base interactions energy: -1317.302
where: short stacking energy: -568.387
Base-Backbone interact. energy: 5.321
local terms energy: -627.613866
where:
bonds (distance) C4'-P energy: -130.071
bonds (distance) P-C4' energy: -128.154
flat angles C4'-P-C4' energy: -142.873
flat angles P-C4'-P energy: -89.197
tors. eta vs tors. theta energy: -137.318
Dist. restrs. and SS energy: 6.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -1843.341970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.341970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.963418 (E_RNA)
where:
Base-Base interactions energy: -1290.121
where: short stacking energy: -543.731
Base-Backbone interact. energy: 2.999
local terms energy: -558.842007
where:
bonds (distance) C4'-P energy: -114.478
bonds (distance) P-C4' energy: -108.813
flat angles C4'-P-C4' energy: -119.112
flat angles P-C4'-P energy: -75.949
tors. eta vs tors. theta energy: -140.490
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: 1, replica: 7
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -2940.641249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2940.641249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2941.689070 (E_RNA)
where:
Base-Base interactions energy: -2032.716
where: short stacking energy: -824.012
Base-Backbone interact. energy: -3.865
local terms energy: -905.108060
where:
bonds (distance) C4'-P energy: -168.786
bonds (distance) P-C4' energy: -167.641
flat angles C4'-P-C4' energy: -198.332
flat angles P-C4'-P energy: -115.121
tors. eta vs tors. theta energy: -255.227
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: 10
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -2810.584184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.584184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.047688 (E_RNA)
where:
Base-Base interactions energy: -1925.384
where: short stacking energy: -810.855
Base-Backbone interact. energy: 2.212
local terms energy: -888.876475
where:
bonds (distance) C4'-P energy: -168.029
bonds (distance) P-C4' energy: -151.255
flat angles C4'-P-C4' energy: -190.617
flat angles P-C4'-P energy: -133.958
tors. eta vs tors. theta energy: -245.018
Dist. restrs. and SS energy: 1.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -2705.069420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.069420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.664704 (E_RNA)
where:
Base-Base interactions energy: -1899.280
where: short stacking energy: -788.377
Base-Backbone interact. energy: -1.643
local terms energy: -807.742127
where:
bonds (distance) C4'-P energy: -148.716
bonds (distance) P-C4' energy: -143.543
flat angles C4'-P-C4' energy: -185.780
flat angles P-C4'-P energy: -113.869
tors. eta vs tors. theta energy: -215.835
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: 4, replica: 9
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -2534.414478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.414478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.918380 (E_RNA)
where:
Base-Base interactions energy: -1739.259
where: short stacking energy: -751.025
Base-Backbone interact. energy: -3.500
local terms energy: -794.159397
where:
bonds (distance) C4'-P energy: -147.566
bonds (distance) P-C4' energy: -133.612
flat angles C4'-P-C4' energy: -171.058
flat angles P-C4'-P energy: -112.913
tors. eta vs tors. theta energy: -229.010
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: 5, replica: 3
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -2416.379800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.379800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.310247 (E_RNA)
where:
Base-Base interactions energy: -1687.138
where: short stacking energy: -712.601
Base-Backbone interact. energy: -1.059
local terms energy: -730.113472
where:
bonds (distance) C4'-P energy: -134.234
bonds (distance) P-C4' energy: -150.294
flat angles C4'-P-C4' energy: -155.133
flat angles P-C4'-P energy: -86.580
tors. eta vs tors. theta energy: -203.871
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: 6, replica: 1
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -2344.427296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.427296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.513666 (E_RNA)
where:
Base-Base interactions energy: -1623.637
where: short stacking energy: -691.365
Base-Backbone interact. energy: -1.738
local terms energy: -722.138879
where:
bonds (distance) C4'-P energy: -127.657
bonds (distance) P-C4' energy: -136.863
flat angles C4'-P-C4' energy: -159.849
flat angles P-C4'-P energy: -101.697
tors. eta vs tors. theta energy: -196.073
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: 6
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -2249.871041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.871041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.371751 (E_RNA)
where:
Base-Base interactions energy: -1548.801
where: short stacking energy: -649.346
Base-Backbone interact. energy: -0.377
local terms energy: -702.193184
where:
bonds (distance) C4'-P energy: -121.046
bonds (distance) P-C4' energy: -138.058
flat angles C4'-P-C4' energy: -162.684
flat angles P-C4'-P energy: -93.648
tors. eta vs tors. theta energy: -186.756
Dist. restrs. and SS energy: 1.501 (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: 477
Temperature: 1.250000
Total energy: -2020.636778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.636778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.693675 (E_RNA)
where:
Base-Base interactions energy: -1381.596
where: short stacking energy: -574.793
Base-Backbone interact. energy: -3.490
local terms energy: -638.607331
where:
bonds (distance) C4'-P energy: -124.466
bonds (distance) P-C4' energy: -134.101
flat angles C4'-P-C4' energy: -152.267
flat angles P-C4'-P energy: -88.525
tors. eta vs tors. theta energy: -139.249
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: 9, replica: 4
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -1908.367780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.367780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.220302 (E_RNA)
where:
Base-Base interactions energy: -1246.894
where: short stacking energy: -507.529
Base-Backbone interact. energy: -1.042
local terms energy: -663.284743
where:
bonds (distance) C4'-P energy: -137.091
bonds (distance) P-C4' energy: -145.779
flat angles C4'-P-C4' energy: -142.020
flat angles P-C4'-P energy: -108.107
tors. eta vs tors. theta energy: -130.288
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: 10, replica: 5
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -1815.106989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.106989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.042032 (E_RNA)
where:
Base-Base interactions energy: -1265.629
where: short stacking energy: -518.820
Base-Backbone interact. energy: 5.948
local terms energy: -559.361013
where:
bonds (distance) C4'-P energy: -105.356
bonds (distance) P-C4' energy: -124.870
flat angles C4'-P-C4' energy: -126.951
flat angles P-C4'-P energy: -59.604
tors. eta vs tors. theta energy: -142.581
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: 1, replica: 7
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -2924.157108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2924.157108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2925.948230 (E_RNA)
where:
Base-Base interactions energy: -2051.163
where: short stacking energy: -839.551
Base-Backbone interact. energy: 1.457
local terms energy: -876.241674
where:
bonds (distance) C4'-P energy: -158.666
bonds (distance) P-C4' energy: -155.558
flat angles C4'-P-C4' energy: -179.686
flat angles P-C4'-P energy: -133.357
tors. eta vs tors. theta energy: -248.974
Dist. restrs. and SS energy: 1.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -2784.877077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.877077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.034856 (E_RNA)
where:
Base-Base interactions energy: -1927.052
where: short stacking energy: -792.948
Base-Backbone interact. energy: -2.094
local terms energy: -857.889493
where:
bonds (distance) C4'-P energy: -156.215
bonds (distance) P-C4' energy: -159.167
flat angles C4'-P-C4' energy: -185.255
flat angles P-C4'-P energy: -132.333
tors. eta vs tors. theta energy: -224.920
Dist. restrs. and SS energy: 2.158 (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: 2
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -2688.145882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.145882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.578256 (E_RNA)
where:
Base-Base interactions energy: -1866.428
where: short stacking energy: -787.091
Base-Backbone interact. energy: -0.635
local terms energy: -823.514900
where:
bonds (distance) C4'-P energy: -145.958
bonds (distance) P-C4' energy: -144.526
flat angles C4'-P-C4' energy: -174.301
flat angles P-C4'-P energy: -118.399
tors. eta vs tors. theta energy: -240.331
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: 4, replica: 9
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -2557.010069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.010069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.034434 (E_RNA)
where:
Base-Base interactions energy: -1796.299
where: short stacking energy: -733.545
Base-Backbone interact. energy: -4.226
local terms energy: -758.509655
where:
bonds (distance) C4'-P energy: -121.298
bonds (distance) P-C4' energy: -144.867
flat angles C4'-P-C4' energy: -175.503
flat angles P-C4'-P energy: -116.709
tors. eta vs tors. theta energy: -200.133
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: 478
Temperature: 1.100000
Total energy: -2486.243133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.243133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.548591 (E_RNA)
where:
Base-Base interactions energy: -1713.722
where: short stacking energy: -731.003
Base-Backbone interact. energy: -2.606
local terms energy: -773.220900
where:
bonds (distance) C4'-P energy: -133.909
bonds (distance) P-C4' energy: -148.232
flat angles C4'-P-C4' energy: -171.050
flat angles P-C4'-P energy: -107.155
tors. eta vs tors. theta energy: -212.875
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: 6, replica: 1
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -2374.202361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.202361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.517579 (E_RNA)
where:
Base-Base interactions energy: -1643.063
where: short stacking energy: -669.808
Base-Backbone interact. energy: 3.609
local terms energy: -737.064108
where:
bonds (distance) C4'-P energy: -148.386
bonds (distance) P-C4' energy: -132.260
flat angles C4'-P-C4' energy: -156.000
flat angles P-C4'-P energy: -109.404
tors. eta vs tors. theta energy: -191.014
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: 7, replica: 6
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -2196.694379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.694379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.770077 (E_RNA)
where:
Base-Base interactions energy: -1507.800
where: short stacking energy: -624.753
Base-Backbone interact. energy: 3.460
local terms energy: -694.429734
where:
bonds (distance) C4'-P energy: -125.873
bonds (distance) P-C4' energy: -151.036
flat angles C4'-P-C4' energy: -148.770
flat angles P-C4'-P energy: -107.998
tors. eta vs tors. theta energy: -160.752
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: 8, replica: 8
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -2049.486722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.486722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.354111 (E_RNA)
where:
Base-Base interactions energy: -1421.324
where: short stacking energy: -593.256
Base-Backbone interact. energy: -3.589
local terms energy: -626.441285
where:
bonds (distance) C4'-P energy: -116.504
bonds (distance) P-C4' energy: -131.096
flat angles C4'-P-C4' energy: -131.739
flat angles P-C4'-P energy: -97.107
tors. eta vs tors. theta energy: -149.995
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: 9, replica: 4
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -1921.332636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.332636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.125797 (E_RNA)
where:
Base-Base interactions energy: -1313.063
where: short stacking energy: -555.406
Base-Backbone interact. energy: 12.583
local terms energy: -623.646082
where:
bonds (distance) C4'-P energy: -120.715
bonds (distance) P-C4' energy: -145.197
flat angles C4'-P-C4' energy: -136.717
flat angles P-C4'-P energy: -85.295
tors. eta vs tors. theta energy: -135.722
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: 5
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -1874.838481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.838481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.641001 (E_RNA)
where:
Base-Base interactions energy: -1300.116
where: short stacking energy: -543.510
Base-Backbone interact. energy: 5.007
local terms energy: -582.532291
where:
bonds (distance) C4'-P energy: -98.631
bonds (distance) P-C4' energy: -109.053
flat angles C4'-P-C4' energy: -148.690
flat angles P-C4'-P energy: -89.606
tors. eta vs tors. theta energy: -136.553
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: 1, replica: 7
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -2929.491102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2929.491102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2930.703779 (E_RNA)
where:
Base-Base interactions energy: -2031.299
where: short stacking energy: -833.594
Base-Backbone interact. energy: -2.784
local terms energy: -896.620438
where:
bonds (distance) C4'-P energy: -182.117
bonds (distance) P-C4' energy: -156.561
flat angles C4'-P-C4' energy: -187.037
flat angles P-C4'-P energy: -124.565
tors. eta vs tors. theta energy: -246.340
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: 2
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -2725.468431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.468431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.595429 (E_RNA)
where:
Base-Base interactions energy: -1864.848
where: short stacking energy: -787.539
Base-Backbone interact. energy: -1.584
local terms energy: -860.163340
where:
bonds (distance) C4'-P energy: -164.899
bonds (distance) P-C4' energy: -158.711
flat angles C4'-P-C4' energy: -171.416
flat angles P-C4'-P energy: -119.923
tors. eta vs tors. theta energy: -245.214
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: 10
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -2719.632125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.632125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.114833 (E_RNA)
where:
Base-Base interactions energy: -1891.652
where: short stacking energy: -787.472
Base-Backbone interact. energy: 1.201
local terms energy: -830.663876
where:
bonds (distance) C4'-P energy: -151.077
bonds (distance) P-C4' energy: -162.498
flat angles C4'-P-C4' energy: -170.472
flat angles P-C4'-P energy: -126.550
tors. eta vs tors. theta energy: -220.067
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: 4, replica: 3
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -2525.925294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.925294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.123228 (E_RNA)
where:
Base-Base interactions energy: -1727.485
where: short stacking energy: -717.779
Base-Backbone interact. energy: -3.449
local terms energy: -796.189323
where:
bonds (distance) C4'-P energy: -158.840
bonds (distance) P-C4' energy: -137.385
flat angles C4'-P-C4' energy: -177.055
flat angles P-C4'-P energy: -101.399
tors. eta vs tors. theta energy: -221.511
Dist. restrs. and SS energy: 1.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -2465.791837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.791837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.114829 (E_RNA)
where:
Base-Base interactions energy: -1665.891
where: short stacking energy: -713.989
Base-Backbone interact. energy: -1.243
local terms energy: -800.980085
where:
bonds (distance) C4'-P energy: -146.711
bonds (distance) P-C4' energy: -147.888
flat angles C4'-P-C4' energy: -178.211
flat angles P-C4'-P energy: -123.012
tors. eta vs tors. theta energy: -205.159
Dist. restrs. and SS energy: 2.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -2363.315284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.315284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.843535 (E_RNA)
where:
Base-Base interactions energy: -1621.346
where: short stacking energy: -681.574
Base-Backbone interact. energy: 2.928
local terms energy: -746.425512
where:
bonds (distance) C4'-P energy: -112.328
bonds (distance) P-C4' energy: -160.832
flat angles C4'-P-C4' energy: -175.775
flat angles P-C4'-P energy: -99.354
tors. eta vs tors. theta energy: -198.137
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: 7, replica: 6
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -2265.430443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.430443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.670591 (E_RNA)
where:
Base-Base interactions energy: -1572.688
where: short stacking energy: -685.530
Base-Backbone interact. energy: 3.085
local terms energy: -697.067111
where:
bonds (distance) C4'-P energy: -143.284
bonds (distance) P-C4' energy: -125.367
flat angles C4'-P-C4' energy: -172.254
flat angles P-C4'-P energy: -92.173
tors. eta vs tors. theta energy: -163.990
Dist. restrs. and SS energy: 1.240 (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: 8
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -2054.593303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.593303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.582319 (E_RNA)
where:
Base-Base interactions energy: -1394.488
where: short stacking energy: -583.889
Base-Backbone interact. energy: -0.762
local terms energy: -661.332689
where:
bonds (distance) C4'-P energy: -119.550
bonds (distance) P-C4' energy: -140.276
flat angles C4'-P-C4' energy: -155.468
flat angles P-C4'-P energy: -91.110
tors. eta vs tors. theta energy: -154.927
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: 9, replica: 4
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -1850.689970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.689970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.867896 (E_RNA)
where:
Base-Base interactions energy: -1250.641
where: short stacking energy: -534.636
Base-Backbone interact. energy: -0.097
local terms energy: -607.130153
where:
bonds (distance) C4'-P energy: -126.313
bonds (distance) P-C4' energy: -141.221
flat angles C4'-P-C4' energy: -124.812
flat angles P-C4'-P energy: -75.534
tors. eta vs tors. theta energy: -139.251
Dist. restrs. and SS energy: 7.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -1833.678285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.678285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.849414 (E_RNA)
where:
Base-Base interactions energy: -1252.944
where: short stacking energy: -530.534
Base-Backbone interact. energy: 0.510
local terms energy: -592.415805
where:
bonds (distance) C4'-P energy: -136.603
bonds (distance) P-C4' energy: -124.864
flat angles C4'-P-C4' energy: -135.215
flat angles P-C4'-P energy: -77.554
tors. eta vs tors. theta energy: -118.181
Dist. restrs. and SS energy: 11.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -2929.619932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2929.619932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2931.311477 (E_RNA)
where:
Base-Base interactions energy: -2032.504
where: short stacking energy: -856.219
Base-Backbone interact. energy: -5.211
local terms energy: -893.596122
where:
bonds (distance) C4'-P energy: -153.075
bonds (distance) P-C4' energy: -168.002
flat angles C4'-P-C4' energy: -186.040
flat angles P-C4'-P energy: -129.444
tors. eta vs tors. theta energy: -257.036
Dist. restrs. and SS energy: 1.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -2744.292416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.292416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.178102 (E_RNA)
where:
Base-Base interactions energy: -1898.038
where: short stacking energy: -799.105
Base-Backbone interact. energy: -1.183
local terms energy: -846.956538
where:
bonds (distance) C4'-P energy: -150.004
bonds (distance) P-C4' energy: -162.000
flat angles C4'-P-C4' energy: -180.289
flat angles P-C4'-P energy: -109.705
tors. eta vs tors. theta energy: -244.959
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: 3, replica: 10
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -2734.486470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.486470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.765198 (E_RNA)
where:
Base-Base interactions energy: -1913.452
where: short stacking energy: -790.074
Base-Backbone interact. energy: 0.656
local terms energy: -822.969631
where:
bonds (distance) C4'-P energy: -143.501
bonds (distance) P-C4' energy: -158.126
flat angles C4'-P-C4' energy: -171.148
flat angles P-C4'-P energy: -125.474
tors. eta vs tors. theta energy: -224.721
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: 4, replica: 3
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -2567.440724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.440724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.550028 (E_RNA)
where:
Base-Base interactions energy: -1770.596
where: short stacking energy: -770.713
Base-Backbone interact. energy: 1.179
local terms energy: -801.132932
where:
bonds (distance) C4'-P energy: -140.357
bonds (distance) P-C4' energy: -147.685
flat angles C4'-P-C4' energy: -174.961
flat angles P-C4'-P energy: -118.417
tors. eta vs tors. theta energy: -219.712
Dist. restrs. and SS energy: 3.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -2465.917840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.917840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.289719 (E_RNA)
where:
Base-Base interactions energy: -1707.957
where: short stacking energy: -736.418
Base-Backbone interact. energy: 3.831
local terms energy: -764.163223
where:
bonds (distance) C4'-P energy: -146.249
bonds (distance) P-C4' energy: -116.408
flat angles C4'-P-C4' energy: -179.034
flat angles P-C4'-P energy: -107.473
tors. eta vs tors. theta energy: -214.999
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: 6, replica: 1
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -2297.719132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.719132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.507428 (E_RNA)
where:
Base-Base interactions energy: -1576.645
where: short stacking energy: -643.676
Base-Backbone interact. energy: -3.254
local terms energy: -719.608454
where:
bonds (distance) C4'-P energy: -130.349
bonds (distance) P-C4' energy: -135.678
flat angles C4'-P-C4' energy: -165.721
flat angles P-C4'-P energy: -97.418
tors. eta vs tors. theta energy: -190.442
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: 7, replica: 6
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -2209.533140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.533140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.529391 (E_RNA)
where:
Base-Base interactions energy: -1529.941
where: short stacking energy: -646.698
Base-Backbone interact. energy: 1.299
local terms energy: -682.887200
where:
bonds (distance) C4'-P energy: -132.934
bonds (distance) P-C4' energy: -129.174
flat angles C4'-P-C4' energy: -152.804
flat angles P-C4'-P energy: -83.681
tors. eta vs tors. theta energy: -184.294
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: 8, replica: 8
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -2007.897328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.897328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.184988 (E_RNA)
where:
Base-Base interactions energy: -1350.839
where: short stacking energy: -552.089
Base-Backbone interact. energy: -1.168
local terms energy: -658.178753
where:
bonds (distance) C4'-P energy: -129.813
bonds (distance) P-C4' energy: -142.962
flat angles C4'-P-C4' energy: -146.696
flat angles P-C4'-P energy: -97.627
tors. eta vs tors. theta energy: -141.081
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: 9, replica: 5
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -1883.790105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.790105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.211141 (E_RNA)
where:
Base-Base interactions energy: -1294.788
where: short stacking energy: -526.377
Base-Backbone interact. energy: 3.787
local terms energy: -599.209744
where:
bonds (distance) C4'-P energy: -107.507
bonds (distance) P-C4' energy: -142.175
flat angles C4'-P-C4' energy: -127.981
flat angles P-C4'-P energy: -101.980
tors. eta vs tors. theta energy: -119.567
Dist. restrs. and SS energy: 6.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -1824.477937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.477937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.323731 (E_RNA)
where:
Base-Base interactions energy: -1243.661
where: short stacking energy: -518.790
Base-Backbone interact. energy: -0.458
local terms energy: -591.204344
where:
bonds (distance) C4'-P energy: -132.332
bonds (distance) P-C4' energy: -127.022
flat angles C4'-P-C4' energy: -125.958
flat angles P-C4'-P energy: -83.075
tors. eta vs tors. theta energy: -122.818
Dist. restrs. and SS energy: 10.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -2943.676309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2943.676309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2945.295553 (E_RNA)
where:
Base-Base interactions energy: -2062.691
where: short stacking energy: -861.261
Base-Backbone interact. energy: 0.226
local terms energy: -882.831189
where:
bonds (distance) C4'-P energy: -156.252
bonds (distance) P-C4' energy: -161.830
flat angles C4'-P-C4' energy: -191.141
flat angles P-C4'-P energy: -123.888
tors. eta vs tors. theta energy: -249.720
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: 2, replica: 2
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -2804.512854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.512854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.929959 (E_RNA)
where:
Base-Base interactions energy: -1952.627
where: short stacking energy: -828.064
Base-Backbone interact. energy: 3.542
local terms energy: -856.844880
where:
bonds (distance) C4'-P energy: -149.559
bonds (distance) P-C4' energy: -173.714
flat angles C4'-P-C4' energy: -179.410
flat angles P-C4'-P energy: -111.844
tors. eta vs tors. theta energy: -242.318
Dist. restrs. and SS energy: 1.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -2692.321738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.321738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.144749 (E_RNA)
where:
Base-Base interactions energy: -1895.363
where: short stacking energy: -797.794
Base-Backbone interact. energy: 7.589
local terms energy: -805.370690
where:
bonds (distance) C4'-P energy: -144.188
bonds (distance) P-C4' energy: -131.620
flat angles C4'-P-C4' energy: -177.955
flat angles P-C4'-P energy: -109.815
tors. eta vs tors. theta energy: -241.793
Dist. restrs. and SS energy: 0.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -2510.412836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.412836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.323172 (E_RNA)
where:
Base-Base interactions energy: -1717.965
where: short stacking energy: -746.273
Base-Backbone interact. energy: -0.126
local terms energy: -794.231553
where:
bonds (distance) C4'-P energy: -138.732
bonds (distance) P-C4' energy: -138.710
flat angles C4'-P-C4' energy: -179.141
flat angles P-C4'-P energy: -124.774
tors. eta vs tors. theta energy: -212.874
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: 3
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -2495.801720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.801720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.012452 (E_RNA)
where:
Base-Base interactions energy: -1733.035
where: short stacking energy: -713.032
Base-Backbone interact. energy: 3.624
local terms energy: -768.600766
where:
bonds (distance) C4'-P energy: -139.962
bonds (distance) P-C4' energy: -156.463
flat angles C4'-P-C4' energy: -163.592
flat angles P-C4'-P energy: -104.969
tors. eta vs tors. theta energy: -203.614
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: 6, replica: 1
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -2350.690600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.690600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.291209 (E_RNA)
where:
Base-Base interactions energy: -1631.674
where: short stacking energy: -675.399
Base-Backbone interact. energy: -2.009
local terms energy: -719.607893
where:
bonds (distance) C4'-P energy: -133.775
bonds (distance) P-C4' energy: -150.827
flat angles C4'-P-C4' energy: -144.614
flat angles P-C4'-P energy: -97.444
tors. eta vs tors. theta energy: -192.947
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: 7, replica: 6
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -2188.080274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.080274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.200528 (E_RNA)
where:
Base-Base interactions energy: -1504.244
where: short stacking energy: -614.871
Base-Backbone interact. energy: -0.383
local terms energy: -686.573472
where:
bonds (distance) C4'-P energy: -131.898
bonds (distance) P-C4' energy: -129.067
flat angles C4'-P-C4' energy: -158.425
flat angles P-C4'-P energy: -100.431
tors. eta vs tors. theta energy: -166.752
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: 8, replica: 8
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -2011.070721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.070721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.316442 (E_RNA)
where:
Base-Base interactions energy: -1351.858
where: short stacking energy: -562.613
Base-Backbone interact. energy: -0.721
local terms energy: -660.736996
where:
bonds (distance) C4'-P energy: -123.361
bonds (distance) P-C4' energy: -134.451
flat angles C4'-P-C4' energy: -158.008
flat angles P-C4'-P energy: -87.593
tors. eta vs tors. theta energy: -157.324
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: 5
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -1900.645354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.645354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.383339 (E_RNA)
where:
Base-Base interactions energy: -1278.789
where: short stacking energy: -555.999
Base-Backbone interact. energy: 2.651
local terms energy: -628.246005
where:
bonds (distance) C4'-P energy: -112.647
bonds (distance) P-C4' energy: -146.069
flat angles C4'-P-C4' energy: -140.040
flat angles P-C4'-P energy: -86.019
tors. eta vs tors. theta energy: -143.471
Dist. restrs. and SS energy: 3.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -1848.532533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.532533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.191599 (E_RNA)
where:
Base-Base interactions energy: -1239.144
where: short stacking energy: -526.058
Base-Backbone interact. energy: 3.761
local terms energy: -616.807847
where:
bonds (distance) C4'-P energy: -120.850
bonds (distance) P-C4' energy: -143.565
flat angles C4'-P-C4' energy: -131.875
flat angles P-C4'-P energy: -95.629
tors. eta vs tors. theta energy: -124.889
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: 7
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -2936.334859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2936.334859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2937.808033 (E_RNA)
where:
Base-Base interactions energy: -2040.681
where: short stacking energy: -830.651
Base-Backbone interact. energy: -4.388
local terms energy: -892.739166
where:
bonds (distance) C4'-P energy: -153.149
bonds (distance) P-C4' energy: -168.067
flat angles C4'-P-C4' energy: -193.323
flat angles P-C4'-P energy: -130.750
tors. eta vs tors. theta energy: -247.451
Dist. restrs. and SS energy: 1.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -2801.093606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.093606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.426053 (E_RNA)
where:
Base-Base interactions energy: -1939.102
where: short stacking energy: -817.976
Base-Backbone interact. energy: -2.080
local terms energy: -861.243922
where:
bonds (distance) C4'-P energy: -150.637
bonds (distance) P-C4' energy: -168.002
flat angles C4'-P-C4' energy: -181.947
flat angles P-C4'-P energy: -128.833
tors. eta vs tors. theta energy: -231.824
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: 3, replica: 10
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -2722.759004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.759004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.340268 (E_RNA)
where:
Base-Base interactions energy: -1857.387
where: short stacking energy: -765.557
Base-Backbone interact. energy: -0.486
local terms energy: -866.467094
where:
bonds (distance) C4'-P energy: -158.141
bonds (distance) P-C4' energy: -171.501
flat angles C4'-P-C4' energy: -181.803
flat angles P-C4'-P energy: -131.820
tors. eta vs tors. theta energy: -223.202
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: 4, replica: 9
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -2553.148576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.148576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.649705 (E_RNA)
where:
Base-Base interactions energy: -1775.238
where: short stacking energy: -739.718
Base-Backbone interact. energy: -1.729
local terms energy: -777.683019
where:
bonds (distance) C4'-P energy: -133.320
bonds (distance) P-C4' energy: -151.351
flat angles C4'-P-C4' energy: -170.092
flat angles P-C4'-P energy: -110.582
tors. eta vs tors. theta energy: -212.337
Dist. restrs. and SS energy: 1.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -2451.402613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.402613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.723442 (E_RNA)
where:
Base-Base interactions energy: -1692.457
where: short stacking energy: -709.206
Base-Backbone interact. energy: -1.109
local terms energy: -760.157682
where:
bonds (distance) C4'-P energy: -142.657
bonds (distance) P-C4' energy: -118.335
flat angles C4'-P-C4' energy: -175.903
flat angles P-C4'-P energy: -119.324
tors. eta vs tors. theta energy: -203.938
Dist. restrs. and SS energy: 2.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -2337.346061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.346061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.175569 (E_RNA)
where:
Base-Base interactions energy: -1591.480
where: short stacking energy: -664.856
Base-Backbone interact. energy: -4.627
local terms energy: -743.068608
where:
bonds (distance) C4'-P energy: -152.652
bonds (distance) P-C4' energy: -159.475
flat angles C4'-P-C4' energy: -158.703
flat angles P-C4'-P energy: -79.705
tors. eta vs tors. theta energy: -192.533
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: 6
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -2168.514644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.514644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.728265 (E_RNA)
where:
Base-Base interactions energy: -1468.163
where: short stacking energy: -640.798
Base-Backbone interact. energy: -1.976
local terms energy: -701.588654
where:
bonds (distance) C4'-P energy: -128.499
bonds (distance) P-C4' energy: -151.934
flat angles C4'-P-C4' energy: -152.857
flat angles P-C4'-P energy: -94.227
tors. eta vs tors. theta energy: -174.071
Dist. restrs. and SS energy: 3.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -2022.168894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.168894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.360896 (E_RNA)
where:
Base-Base interactions energy: -1343.090
where: short stacking energy: -581.111
Base-Backbone interact. energy: 5.420
local terms energy: -687.691336
where:
bonds (distance) C4'-P energy: -134.906
bonds (distance) P-C4' energy: -135.334
flat angles C4'-P-C4' energy: -159.665
flat angles P-C4'-P energy: -109.270
tors. eta vs tors. theta energy: -148.516
Dist. restrs. and SS energy: 3.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -1925.547038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.547038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.219517 (E_RNA)
where:
Base-Base interactions energy: -1276.689
where: short stacking energy: -557.542
Base-Backbone interact. energy: 0.764
local terms energy: -653.294459
where:
bonds (distance) C4'-P energy: -130.068
bonds (distance) P-C4' energy: -133.000
flat angles C4'-P-C4' energy: -157.268
flat angles P-C4'-P energy: -82.994
tors. eta vs tors. theta energy: -149.964
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: 10, replica: 5
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -1845.598996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.598996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.924601 (E_RNA)
where:
Base-Base interactions energy: -1280.855
where: short stacking energy: -543.997
Base-Backbone interact. energy: 1.448
local terms energy: -569.518164
where:
bonds (distance) C4'-P energy: -108.785
bonds (distance) P-C4' energy: -121.263
flat angles C4'-P-C4' energy: -137.472
flat angles P-C4'-P energy: -72.212
tors. eta vs tors. theta energy: -129.787
Dist. restrs. and SS energy: 3.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -2932.925538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2932.925538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2933.895909 (E_RNA)
where:
Base-Base interactions energy: -2049.755
where: short stacking energy: -829.616
Base-Backbone interact. energy: -2.945
local terms energy: -881.195757
where:
bonds (distance) C4'-P energy: -161.860
bonds (distance) P-C4' energy: -172.913
flat angles C4'-P-C4' energy: -184.107
flat angles P-C4'-P energy: -117.280
tors. eta vs tors. theta energy: -245.036
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: 2, replica: 2
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -2803.294101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.294101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.215286 (E_RNA)
where:
Base-Base interactions energy: -1939.759
where: short stacking energy: -815.287
Base-Backbone interact. energy: -0.527
local terms energy: -863.929419
where:
bonds (distance) C4'-P energy: -150.281
bonds (distance) P-C4' energy: -150.445
flat angles C4'-P-C4' energy: -186.765
flat angles P-C4'-P energy: -125.892
tors. eta vs tors. theta energy: -250.546
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: 3, replica: 10
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -2742.250495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.250495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.556968 (E_RNA)
where:
Base-Base interactions energy: -1905.075
where: short stacking energy: -818.189
Base-Backbone interact. energy: 3.682
local terms energy: -843.164166
where:
bonds (distance) C4'-P energy: -129.147
bonds (distance) P-C4' energy: -153.147
flat angles C4'-P-C4' energy: -183.825
flat angles P-C4'-P energy: -130.290
tors. eta vs tors. theta energy: -246.755
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: 9
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -2554.104858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.104858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.140458 (E_RNA)
where:
Base-Base interactions energy: -1776.966
where: short stacking energy: -724.517
Base-Backbone interact. energy: -1.664
local terms energy: -776.510122
where:
bonds (distance) C4'-P energy: -137.451
bonds (distance) P-C4' energy: -147.265
flat angles C4'-P-C4' energy: -174.765
flat angles P-C4'-P energy: -103.329
tors. eta vs tors. theta energy: -213.700
Dist. restrs. and SS energy: 1.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -2489.052202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.052202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.163115 (E_RNA)
where:
Base-Base interactions energy: -1717.898
where: short stacking energy: -714.608
Base-Backbone interact. energy: -1.828
local terms energy: -772.436559
where:
bonds (distance) C4'-P energy: -125.602
bonds (distance) P-C4' energy: -156.923
flat angles C4'-P-C4' energy: -157.460
flat angles P-C4'-P energy: -123.884
tors. eta vs tors. theta energy: -208.567
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: 6, replica: 1
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -2322.443038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.443038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.450354 (E_RNA)
where:
Base-Base interactions energy: -1592.941
where: short stacking energy: -714.482
Base-Backbone interact. energy: -2.300
local terms energy: -731.209609
where:
bonds (distance) C4'-P energy: -128.800
bonds (distance) P-C4' energy: -154.066
flat angles C4'-P-C4' energy: -156.239
flat angles P-C4'-P energy: -101.639
tors. eta vs tors. theta energy: -190.465
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: 7, replica: 6
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -2175.400898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.400898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.060173 (E_RNA)
where:
Base-Base interactions energy: -1500.515
where: short stacking energy: -632.959
Base-Backbone interact. energy: -2.093
local terms energy: -677.452525
where:
bonds (distance) C4'-P energy: -137.571
bonds (distance) P-C4' energy: -136.395
flat angles C4'-P-C4' energy: -142.501
flat angles P-C4'-P energy: -93.087
tors. eta vs tors. theta energy: -167.898
Dist. restrs. and SS energy: 4.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -2002.819417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.819417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.398811 (E_RNA)
where:
Base-Base interactions energy: -1325.595
where: short stacking energy: -567.979
Base-Backbone interact. energy: -1.888
local terms energy: -678.915834
where:
bonds (distance) C4'-P energy: -131.996
bonds (distance) P-C4' energy: -150.980
flat angles C4'-P-C4' energy: -144.228
flat angles P-C4'-P energy: -88.668
tors. eta vs tors. theta energy: -163.044
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: 9, replica: 4
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -1918.810235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.810235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.182877 (E_RNA)
where:
Base-Base interactions energy: -1309.134
where: short stacking energy: -568.719
Base-Backbone interact. energy: 0.631
local terms energy: -613.680156
where:
bonds (distance) C4'-P energy: -107.003
bonds (distance) P-C4' energy: -133.484
flat angles C4'-P-C4' energy: -138.490
flat angles P-C4'-P energy: -80.212
tors. eta vs tors. theta energy: -154.491
Dist. restrs. and SS energy: 3.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -1849.569693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.569693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.033557 (E_RNA)
where:
Base-Base interactions energy: -1249.861
where: short stacking energy: -508.259
Base-Backbone interact. energy: -0.187
local terms energy: -604.985902
where:
bonds (distance) C4'-P energy: -139.133
bonds (distance) P-C4' energy: -129.531
flat angles C4'-P-C4' energy: -139.204
flat angles P-C4'-P energy: -76.761
tors. eta vs tors. theta energy: -120.357
Dist. restrs. and SS energy: 5.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -2925.352921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2925.352921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2928.132307 (E_RNA)
where:
Base-Base interactions energy: -2041.629
where: short stacking energy: -839.214
Base-Backbone interact. energy: -4.080
local terms energy: -882.423410
where:
bonds (distance) C4'-P energy: -170.040
bonds (distance) P-C4' energy: -154.844
flat angles C4'-P-C4' energy: -192.628
flat angles P-C4'-P energy: -126.824
tors. eta vs tors. theta energy: -238.088
Dist. restrs. and SS energy: 2.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -2836.501118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2836.501118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.776435 (E_RNA)
where:
Base-Base interactions energy: -1988.013
where: short stacking energy: -828.745
Base-Backbone interact. energy: -0.886
local terms energy: -849.876816
where:
bonds (distance) C4'-P energy: -133.882
bonds (distance) P-C4' energy: -163.111
flat angles C4'-P-C4' energy: -190.720
flat angles P-C4'-P energy: -123.514
tors. eta vs tors. theta energy: -238.650
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: 10
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -2756.646995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.646995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.744503 (E_RNA)
where:
Base-Base interactions energy: -1881.540
where: short stacking energy: -790.809
Base-Backbone interact. energy: -2.447
local terms energy: -874.757235
where:
bonds (distance) C4'-P energy: -168.661
bonds (distance) P-C4' energy: -156.107
flat angles C4'-P-C4' energy: -188.237
flat angles P-C4'-P energy: -123.513
tors. eta vs tors. theta energy: -238.239
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: 4, replica: 9
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -2573.573477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.573477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.460682 (E_RNA)
where:
Base-Base interactions energy: -1774.618
where: short stacking energy: -729.280
Base-Backbone interact. energy: -1.748
local terms energy: -799.094636
where:
bonds (distance) C4'-P energy: -136.423
bonds (distance) P-C4' energy: -156.712
flat angles C4'-P-C4' energy: -177.155
flat angles P-C4'-P energy: -112.661
tors. eta vs tors. theta energy: -216.143
Dist. restrs. and SS energy: 1.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -2488.086910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.086910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.354809 (E_RNA)
where:
Base-Base interactions energy: -1717.802
where: short stacking energy: -743.746
Base-Backbone interact. energy: -1.754
local terms energy: -770.798585
where:
bonds (distance) C4'-P energy: -134.602
bonds (distance) P-C4' energy: -151.835
flat angles C4'-P-C4' energy: -161.448
flat angles P-C4'-P energy: -102.010
tors. eta vs tors. theta energy: -220.903
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: 1
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -2341.993637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.993637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.920995 (E_RNA)
where:
Base-Base interactions energy: -1599.939
where: short stacking energy: -678.462
Base-Backbone interact. energy: -2.563
local terms energy: -741.418698
where:
bonds (distance) C4'-P energy: -141.029
bonds (distance) P-C4' energy: -154.991
flat angles C4'-P-C4' energy: -154.136
flat angles P-C4'-P energy: -97.126
tors. eta vs tors. theta energy: -194.136
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: 7, replica: 6
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -2180.845215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.845215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.698221 (E_RNA)
where:
Base-Base interactions energy: -1510.473
where: short stacking energy: -636.756
Base-Backbone interact. energy: 2.427
local terms energy: -678.652319
where:
bonds (distance) C4'-P energy: -122.108
bonds (distance) P-C4' energy: -124.746
flat angles C4'-P-C4' energy: -152.228
flat angles P-C4'-P energy: -94.587
tors. eta vs tors. theta energy: -184.984
Dist. restrs. and SS energy: 5.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -1996.844499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.844499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.306958 (E_RNA)
where:
Base-Base interactions energy: -1339.217
where: short stacking energy: -570.197
Base-Backbone interact. energy: -1.617
local terms energy: -659.472312
where:
bonds (distance) C4'-P energy: -147.699
bonds (distance) P-C4' energy: -147.906
flat angles C4'-P-C4' energy: -140.471
flat angles P-C4'-P energy: -88.023
tors. eta vs tors. theta energy: -135.373
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: 9, replica: 4
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -1956.781298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.781298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.998668 (E_RNA)
where:
Base-Base interactions energy: -1326.634
where: short stacking energy: -561.715
Base-Backbone interact. energy: -2.317
local terms energy: -631.046956
where:
bonds (distance) C4'-P energy: -121.349
bonds (distance) P-C4' energy: -119.585
flat angles C4'-P-C4' energy: -158.201
flat angles P-C4'-P energy: -88.933
tors. eta vs tors. theta energy: -142.979
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: 10, replica: 5
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -1870.977881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.977881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.019976 (E_RNA)
where:
Base-Base interactions energy: -1283.459
where: short stacking energy: -536.124
Base-Backbone interact. energy: -1.726
local terms energy: -592.835821
where:
bonds (distance) C4'-P energy: -141.829
bonds (distance) P-C4' energy: -129.757
flat angles C4'-P-C4' energy: -120.056
flat angles P-C4'-P energy: -76.837
tors. eta vs tors. theta energy: -124.357
Dist. restrs. and SS energy: 7.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -2939.821817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2939.821817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2940.982753 (E_RNA)
where:
Base-Base interactions energy: -2049.381
where: short stacking energy: -852.220
Base-Backbone interact. energy: -2.379
local terms energy: -889.222783
where:
bonds (distance) C4'-P energy: -162.726
bonds (distance) P-C4' energy: -155.916
flat angles C4'-P-C4' energy: -192.015
flat angles P-C4'-P energy: -122.861
tors. eta vs tors. theta energy: -255.706
Dist. restrs. and SS energy: 1.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -2862.456469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2862.456469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2865.608446 (E_RNA)
where:
Base-Base interactions energy: -2035.677
where: short stacking energy: -828.805
Base-Backbone interact. energy: 4.790
local terms energy: -834.720791
where:
bonds (distance) C4'-P energy: -155.167
bonds (distance) P-C4' energy: -158.410
flat angles C4'-P-C4' energy: -167.736
flat angles P-C4'-P energy: -114.519
tors. eta vs tors. theta energy: -238.889
Dist. restrs. and SS energy: 3.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -2750.350004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.350004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.006275 (E_RNA)
where:
Base-Base interactions energy: -1905.336
where: short stacking energy: -784.964
Base-Backbone interact. energy: -3.263
local terms energy: -843.406470
where:
bonds (distance) C4'-P energy: -157.616
bonds (distance) P-C4' energy: -158.034
flat angles C4'-P-C4' energy: -174.006
flat angles P-C4'-P energy: -124.601
tors. eta vs tors. theta energy: -229.149
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: 4, replica: 9
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -2589.109693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.109693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.332265 (E_RNA)
where:
Base-Base interactions energy: -1777.522
where: short stacking energy: -722.618
Base-Backbone interact. energy: -3.196
local terms energy: -809.613754
where:
bonds (distance) C4'-P energy: -164.681
bonds (distance) P-C4' energy: -152.334
flat angles C4'-P-C4' energy: -170.807
flat angles P-C4'-P energy: -96.456
tors. eta vs tors. theta energy: -225.336
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: 5, replica: 3
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -2495.295203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.295203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.032150 (E_RNA)
where:
Base-Base interactions energy: -1720.899
where: short stacking energy: -730.828
Base-Backbone interact. energy: -1.404
local terms energy: -774.729888
where:
bonds (distance) C4'-P energy: -134.189
bonds (distance) P-C4' energy: -147.223
flat angles C4'-P-C4' energy: -168.090
flat angles P-C4'-P energy: -110.292
tors. eta vs tors. theta energy: -214.936
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: 6, replica: 1
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -2323.488282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.488282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.661701 (E_RNA)
where:
Base-Base interactions energy: -1623.919
where: short stacking energy: -682.979
Base-Backbone interact. energy: 0.512
local terms energy: -702.254508
where:
bonds (distance) C4'-P energy: -127.822
bonds (distance) P-C4' energy: -118.391
flat angles C4'-P-C4' energy: -157.137
flat angles P-C4'-P energy: -112.379
tors. eta vs tors. theta energy: -186.526
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: 6
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -2238.896690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.896690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.518539 (E_RNA)
where:
Base-Base interactions energy: -1530.751
where: short stacking energy: -638.023
Base-Backbone interact. energy: -1.192
local terms energy: -710.575471
where:
bonds (distance) C4'-P energy: -153.677
bonds (distance) P-C4' energy: -142.605
flat angles C4'-P-C4' energy: -151.633
flat angles P-C4'-P energy: -93.735
tors. eta vs tors. theta energy: -168.926
Dist. restrs. and SS energy: 3.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -2033.070312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.070312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.479039 (E_RNA)
where:
Base-Base interactions energy: -1377.934
where: short stacking energy: -602.336
Base-Backbone interact. energy: -0.592
local terms energy: -658.952846
where:
bonds (distance) C4'-P energy: -125.884
bonds (distance) P-C4' energy: -134.594
flat angles C4'-P-C4' energy: -158.282
flat angles P-C4'-P energy: -82.184
tors. eta vs tors. theta energy: -158.009
Dist. restrs. and SS energy: 4.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -1963.719476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.719476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.402113 (E_RNA)
where:
Base-Base interactions energy: -1352.292
where: short stacking energy: -550.178
Base-Backbone interact. energy: -0.268
local terms energy: -615.842602
where:
bonds (distance) C4'-P energy: -113.276
bonds (distance) P-C4' energy: -136.969
flat angles C4'-P-C4' energy: -145.988
flat angles P-C4'-P energy: -79.395
tors. eta vs tors. theta energy: -140.214
Dist. restrs. and SS energy: 4.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -1903.899400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.899400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.068570 (E_RNA)
where:
Base-Base interactions energy: -1298.321
where: short stacking energy: -547.465
Base-Backbone interact. energy: 4.471
local terms energy: -614.218735
where:
bonds (distance) C4'-P energy: -126.807
bonds (distance) P-C4' energy: -117.230
flat angles C4'-P-C4' energy: -162.520
flat angles P-C4'-P energy: -75.376
tors. eta vs tors. theta energy: -132.285
Dist. restrs. and SS energy: 4.169 (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: 2
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -2914.536181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2914.536181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2916.806125 (E_RNA)
where:
Base-Base interactions energy: -2026.380
where: short stacking energy: -838.410
Base-Backbone interact. energy: -1.462
local terms energy: -888.964695
where:
bonds (distance) C4'-P energy: -157.789
bonds (distance) P-C4' energy: -166.352
flat angles C4'-P-C4' energy: -182.280
flat angles P-C4'-P energy: -132.434
tors. eta vs tors. theta energy: -250.110
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: 2, replica: 7
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -2887.408377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2887.408377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2889.640271 (E_RNA)
where:
Base-Base interactions energy: -2013.311
where: short stacking energy: -822.030
Base-Backbone interact. energy: -1.896
local terms energy: -874.433196
where:
bonds (distance) C4'-P energy: -171.557
bonds (distance) P-C4' energy: -156.525
flat angles C4'-P-C4' energy: -184.794
flat angles P-C4'-P energy: -126.497
tors. eta vs tors. theta energy: -235.061
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: 10
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -2712.268879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.268879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.597688 (E_RNA)
where:
Base-Base interactions energy: -1887.843
where: short stacking energy: -773.342
Base-Backbone interact. energy: 1.699
local terms energy: -827.454506
where:
bonds (distance) C4'-P energy: -139.948
bonds (distance) P-C4' energy: -154.023
flat angles C4'-P-C4' energy: -179.555
flat angles P-C4'-P energy: -130.448
tors. eta vs tors. theta energy: -223.480
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: 4, replica: 9
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -2648.472841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.472841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.496046 (E_RNA)
where:
Base-Base interactions energy: -1834.981
where: short stacking energy: -773.954
Base-Backbone interact. energy: -2.335
local terms energy: -812.180522
where:
bonds (distance) C4'-P energy: -133.052
bonds (distance) P-C4' energy: -160.146
flat angles C4'-P-C4' energy: -176.350
flat angles P-C4'-P energy: -113.905
tors. eta vs tors. theta energy: -228.727
Dist. restrs. and SS energy: 1.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -2517.686106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.686106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.326320 (E_RNA)
where:
Base-Base interactions energy: -1733.698
where: short stacking energy: -740.109
Base-Backbone interact. energy: -1.628
local terms energy: -785.000154
where:
bonds (distance) C4'-P energy: -151.649
bonds (distance) P-C4' energy: -133.832
flat angles C4'-P-C4' energy: -163.396
flat angles P-C4'-P energy: -127.936
tors. eta vs tors. theta energy: -208.188
Dist. restrs. and SS energy: 2.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -2317.617246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.617246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.449511 (E_RNA)
where:
Base-Base interactions energy: -1603.041
where: short stacking energy: -679.763
Base-Backbone interact. energy: -0.610
local terms energy: -717.797875
where:
bonds (distance) C4'-P energy: -131.268
bonds (distance) P-C4' energy: -135.667
flat angles C4'-P-C4' energy: -150.248
flat angles P-C4'-P energy: -108.551
tors. eta vs tors. theta energy: -192.065
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: 7, replica: 6
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -2203.520806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.520806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.288772 (E_RNA)
where:
Base-Base interactions energy: -1514.909
where: short stacking energy: -655.346
Base-Backbone interact. energy: -1.170
local terms energy: -690.209423
where:
bonds (distance) C4'-P energy: -137.636
bonds (distance) P-C4' energy: -144.234
flat angles C4'-P-C4' energy: -143.838
flat angles P-C4'-P energy: -86.808
tors. eta vs tors. theta energy: -177.693
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: 8, replica: 4
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -2025.269454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.269454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.108780 (E_RNA)
where:
Base-Base interactions energy: -1351.047
where: short stacking energy: -581.477
Base-Backbone interact. energy: 4.909
local terms energy: -681.971045
where:
bonds (distance) C4'-P energy: -123.472
bonds (distance) P-C4' energy: -158.894
flat angles C4'-P-C4' energy: -144.237
flat angles P-C4'-P energy: -96.452
tors. eta vs tors. theta energy: -158.915
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: 9, replica: 8
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -1989.135931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.135931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.107882 (E_RNA)
where:
Base-Base interactions energy: -1369.526
where: short stacking energy: -573.387
Base-Backbone interact. energy: -2.715
local terms energy: -618.866722
where:
bonds (distance) C4'-P energy: -123.988
bonds (distance) P-C4' energy: -129.142
flat angles C4'-P-C4' energy: -160.357
flat angles P-C4'-P energy: -87.084
tors. eta vs tors. theta energy: -118.295
Dist. restrs. and SS energy: 1.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -1838.782461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.782461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.137724 (E_RNA)
where:
Base-Base interactions energy: -1259.411
where: short stacking energy: -524.346
Base-Backbone interact. energy: 1.433
local terms energy: -583.160049
where:
bonds (distance) C4'-P energy: -103.879
bonds (distance) P-C4' energy: -138.471
flat angles C4'-P-C4' energy: -130.569
flat angles P-C4'-P energy: -82.012
tors. eta vs tors. theta energy: -128.229
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: 1, replica: 2
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -2933.660145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2933.660145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2936.859233 (E_RNA)
where:
Base-Base interactions energy: -2044.240
where: short stacking energy: -836.654
Base-Backbone interact. energy: -2.638
local terms energy: -889.980647
where:
bonds (distance) C4'-P energy: -168.356
bonds (distance) P-C4' energy: -170.312
flat angles C4'-P-C4' energy: -186.467
flat angles P-C4'-P energy: -118.195
tors. eta vs tors. theta energy: -246.650
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: 2, replica: 7
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -2925.590024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2925.590024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2926.950105 (E_RNA)
where:
Base-Base interactions energy: -2048.857
where: short stacking energy: -855.661
Base-Backbone interact. energy: -2.022
local terms energy: -876.070361
where:
bonds (distance) C4'-P energy: -159.941
bonds (distance) P-C4' energy: -163.968
flat angles C4'-P-C4' energy: -186.507
flat angles P-C4'-P energy: -126.145
tors. eta vs tors. theta energy: -239.510
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: 10
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -2716.861239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.861239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.247183 (E_RNA)
where:
Base-Base interactions energy: -1897.950
where: short stacking energy: -791.229
Base-Backbone interact. energy: 5.402
local terms energy: -825.698651
where:
bonds (distance) C4'-P energy: -139.153
bonds (distance) P-C4' energy: -160.581
flat angles C4'-P-C4' energy: -175.567
flat angles P-C4'-P energy: -112.859
tors. eta vs tors. theta energy: -237.539
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: 4, replica: 9
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -2600.893930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.893930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.713400 (E_RNA)
where:
Base-Base interactions energy: -1805.381
where: short stacking energy: -766.209
Base-Backbone interact. energy: -4.771
local terms energy: -792.561451
where:
bonds (distance) C4'-P energy: -148.619
bonds (distance) P-C4' energy: -147.204
flat angles C4'-P-C4' energy: -181.212
flat angles P-C4'-P energy: -100.549
tors. eta vs tors. theta energy: -214.977
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: 3
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -2513.056797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.056797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.955033 (E_RNA)
where:
Base-Base interactions energy: -1742.825
where: short stacking energy: -733.067
Base-Backbone interact. energy: -4.843
local terms energy: -768.286630
where:
bonds (distance) C4'-P energy: -143.924
bonds (distance) P-C4' energy: -146.196
flat angles C4'-P-C4' energy: -166.954
flat angles P-C4'-P energy: -106.555
tors. eta vs tors. theta energy: -204.658
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: 6, replica: 1
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -2332.819995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.819995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.568335 (E_RNA)
where:
Base-Base interactions energy: -1632.959
where: short stacking energy: -667.737
Base-Backbone interact. energy: -2.114
local terms energy: -699.495308
where:
bonds (distance) C4'-P energy: -131.353
bonds (distance) P-C4' energy: -139.061
flat angles C4'-P-C4' energy: -157.554
flat angles P-C4'-P energy: -81.004
tors. eta vs tors. theta energy: -190.524
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: 6
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -2171.536214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.536214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.460902 (E_RNA)
where:
Base-Base interactions energy: -1491.236
where: short stacking energy: -640.827
Base-Backbone interact. energy: -0.559
local terms energy: -682.665838
where:
bonds (distance) C4'-P energy: -133.086
bonds (distance) P-C4' energy: -139.583
flat angles C4'-P-C4' energy: -147.719
flat angles P-C4'-P energy: -88.711
tors. eta vs tors. theta energy: -173.567
Dist. restrs. and SS energy: 2.925 (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: 4
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -2035.271841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.271841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.343219 (E_RNA)
where:
Base-Base interactions energy: -1360.757
where: short stacking energy: -582.444
Base-Backbone interact. energy: -2.459
local terms energy: -675.126586
where:
bonds (distance) C4'-P energy: -129.494
bonds (distance) P-C4' energy: -139.396
flat angles C4'-P-C4' energy: -155.304
flat angles P-C4'-P energy: -101.712
tors. eta vs tors. theta energy: -149.221
Dist. restrs. and SS energy: 3.071 (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: 8
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -1989.074651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.074651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.512904 (E_RNA)
where:
Base-Base interactions energy: -1340.833
where: short stacking energy: -550.625
Base-Backbone interact. energy: 4.125
local terms energy: -654.804406
where:
bonds (distance) C4'-P energy: -137.809
bonds (distance) P-C4' energy: -140.830
flat angles C4'-P-C4' energy: -137.482
flat angles P-C4'-P energy: -103.642
tors. eta vs tors. theta energy: -135.042
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: 10, replica: 5
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -1842.883106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.883106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.847084 (E_RNA)
where:
Base-Base interactions energy: -1280.251
where: short stacking energy: -526.181
Base-Backbone interact. energy: 4.387
local terms energy: -569.983469
where:
bonds (distance) C4'-P energy: -129.844
bonds (distance) P-C4' energy: -104.484
flat angles C4'-P-C4' energy: -139.056
flat angles P-C4'-P energy: -78.099
tors. eta vs tors. theta energy: -118.500
Dist. restrs. and SS energy: 2.964 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -2951.196770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2951.196770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2952.168294 (E_RNA)
where:
Base-Base interactions energy: -2060.072
where: short stacking energy: -838.883
Base-Backbone interact. energy: -0.959
local terms energy: -891.137380
where:
bonds (distance) C4'-P energy: -164.330
bonds (distance) P-C4' energy: -160.167
flat angles C4'-P-C4' energy: -188.404
flat angles P-C4'-P energy: -120.032
tors. eta vs tors. theta energy: -258.205
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: 2, replica: 2
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -2848.804606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2848.804606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2851.471483 (E_RNA)
where:
Base-Base interactions energy: -1958.037
where: short stacking energy: -841.656
Base-Backbone interact. energy: 0.342
local terms energy: -893.776070
where:
bonds (distance) C4'-P energy: -157.285
bonds (distance) P-C4' energy: -168.326
flat angles C4'-P-C4' energy: -190.204
flat angles P-C4'-P energy: -123.547
tors. eta vs tors. theta energy: -254.414
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: 3, replica: 10
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -2708.346035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.346035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.465940 (E_RNA)
where:
Base-Base interactions energy: -1867.419
where: short stacking energy: -774.196
Base-Backbone interact. energy: -2.041
local terms energy: -841.006251
where:
bonds (distance) C4'-P energy: -158.973
bonds (distance) P-C4' energy: -151.169
flat angles C4'-P-C4' energy: -181.196
flat angles P-C4'-P energy: -130.433
tors. eta vs tors. theta energy: -219.235
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: 4, replica: 9
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -2588.517988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.517988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.122668 (E_RNA)
where:
Base-Base interactions energy: -1815.970
where: short stacking energy: -767.356
Base-Backbone interact. energy: 0.859
local terms energy: -775.010971
where:
bonds (distance) C4'-P energy: -143.877
bonds (distance) P-C4' energy: -147.659
flat angles C4'-P-C4' energy: -156.710
flat angles P-C4'-P energy: -105.234
tors. eta vs tors. theta energy: -221.532
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: 5, replica: 3
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -2491.199673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.199673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.123963 (E_RNA)
where:
Base-Base interactions energy: -1732.215
where: short stacking energy: -698.119
Base-Backbone interact. energy: -2.312
local terms energy: -759.597341
where:
bonds (distance) C4'-P energy: -138.218
bonds (distance) P-C4' energy: -167.207
flat angles C4'-P-C4' energy: -150.990
flat angles P-C4'-P energy: -109.153
tors. eta vs tors. theta energy: -194.028
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: 1
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -2347.403847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.403847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.614538 (E_RNA)
where:
Base-Base interactions energy: -1604.781
where: short stacking energy: -673.126
Base-Backbone interact. energy: 0.677
local terms energy: -745.510494
where:
bonds (distance) C4'-P energy: -141.969
bonds (distance) P-C4' energy: -161.610
flat angles C4'-P-C4' energy: -164.739
flat angles P-C4'-P energy: -88.178
tors. eta vs tors. theta energy: -189.014
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: 7, replica: 6
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -2199.410706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.410706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.105127 (E_RNA)
where:
Base-Base interactions energy: -1500.985
where: short stacking energy: -618.795
Base-Backbone interact. energy: 0.571
local terms energy: -701.690775
where:
bonds (distance) C4'-P energy: -137.580
bonds (distance) P-C4' energy: -141.267
flat angles C4'-P-C4' energy: -168.556
flat angles P-C4'-P energy: -97.637
tors. eta vs tors. theta energy: -156.651
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: 4
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -1990.665010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.665010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.708737 (E_RNA)
where:
Base-Base interactions energy: -1372.816
where: short stacking energy: -584.746
Base-Backbone interact. energy: 3.222
local terms energy: -629.114727
where:
bonds (distance) C4'-P energy: -133.539
bonds (distance) P-C4' energy: -109.135
flat angles C4'-P-C4' energy: -139.935
flat angles P-C4'-P energy: -99.532
tors. eta vs tors. theta energy: -146.974
Dist. restrs. and SS energy: 8.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -1964.667457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.667457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.146573 (E_RNA)
where:
Base-Base interactions energy: -1360.431
where: short stacking energy: -571.121
Base-Backbone interact. energy: -3.088
local terms energy: -604.627477
where:
bonds (distance) C4'-P energy: -131.984
bonds (distance) P-C4' energy: -131.425
flat angles C4'-P-C4' energy: -138.663
flat angles P-C4'-P energy: -71.352
tors. eta vs tors. theta energy: -131.203
Dist. restrs. and SS energy: 3.479 (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: 5
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -1843.386432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.386432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.181227 (E_RNA)
where:
Base-Base interactions energy: -1264.512
where: short stacking energy: -518.762
Base-Backbone interact. energy: 0.685
local terms energy: -583.353974
where:
bonds (distance) C4'-P energy: -119.536
bonds (distance) P-C4' energy: -146.478
flat angles C4'-P-C4' energy: -136.162
flat angles P-C4'-P energy: -76.733
tors. eta vs tors. theta energy: -104.446
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: 7
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -2933.558310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2933.558310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2934.274112 (E_RNA)
where:
Base-Base interactions energy: -2051.177
where: short stacking energy: -864.081
Base-Backbone interact. energy: -1.858
local terms energy: -881.239024
where:
bonds (distance) C4'-P energy: -163.849
bonds (distance) P-C4' energy: -177.973
flat angles C4'-P-C4' energy: -169.123
flat angles P-C4'-P energy: -125.519
tors. eta vs tors. theta energy: -244.775
Dist. restrs. and SS energy: 0.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -2823.560984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.560984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.711469 (E_RNA)
where:
Base-Base interactions energy: -1965.626
where: short stacking energy: -839.453
Base-Backbone interact. energy: 1.095
local terms energy: -862.181339
where:
bonds (distance) C4'-P energy: -146.614
bonds (distance) P-C4' energy: -153.082
flat angles C4'-P-C4' energy: -178.343
flat angles P-C4'-P energy: -124.973
tors. eta vs tors. theta energy: -259.169
Dist. restrs. and SS energy: 3.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -2736.376802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.376802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.859321 (E_RNA)
where:
Base-Base interactions energy: -1938.410
where: short stacking energy: -810.520
Base-Backbone interact. energy: 5.588
local terms energy: -805.036854
where:
bonds (distance) C4'-P energy: -140.532
bonds (distance) P-C4' energy: -151.104
flat angles C4'-P-C4' energy: -182.021
flat angles P-C4'-P energy: -104.264
tors. eta vs tors. theta energy: -227.116
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: 4, replica: 9
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -2602.478058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.478058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.164193 (E_RNA)
where:
Base-Base interactions energy: -1775.882
where: short stacking energy: -746.889
Base-Backbone interact. energy: -5.428
local terms energy: -823.854094
where:
bonds (distance) C4'-P energy: -142.795
bonds (distance) P-C4' energy: -161.722
flat angles C4'-P-C4' energy: -169.289
flat angles P-C4'-P energy: -131.399
tors. eta vs tors. theta energy: -218.649
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: 5, replica: 3
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -2530.029423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.029423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.647965 (E_RNA)
where:
Base-Base interactions energy: -1713.686
where: short stacking energy: -725.160
Base-Backbone interact. energy: 6.139
local terms energy: -824.100469
where:
bonds (distance) C4'-P energy: -150.310
bonds (distance) P-C4' energy: -144.211
flat angles C4'-P-C4' energy: -180.701
flat angles P-C4'-P energy: -124.313
tors. eta vs tors. theta energy: -224.566
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: 6, replica: 1
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -2378.493394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.493394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.964409 (E_RNA)
where:
Base-Base interactions energy: -1629.701
where: short stacking energy: -680.898
Base-Backbone interact. energy: 1.872
local terms energy: -753.134617
where:
bonds (distance) C4'-P energy: -135.122
bonds (distance) P-C4' energy: -162.099
flat angles C4'-P-C4' energy: -155.699
flat angles P-C4'-P energy: -98.467
tors. eta vs tors. theta energy: -201.747
Dist. restrs. and SS energy: 2.471 (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: 6
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -2175.267724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.267724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.909512 (E_RNA)
where:
Base-Base interactions energy: -1493.780
where: short stacking energy: -618.050
Base-Backbone interact. energy: 0.284
local terms energy: -683.413936
where:
bonds (distance) C4'-P energy: -118.347
bonds (distance) P-C4' energy: -145.669
flat angles C4'-P-C4' energy: -148.778
flat angles P-C4'-P energy: -100.111
tors. eta vs tors. theta energy: -170.508
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: 8, replica: 8
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -2007.243151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.243151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.235883 (E_RNA)
where:
Base-Base interactions energy: -1312.350
where: short stacking energy: -564.635
Base-Backbone interact. energy: 3.417
local terms energy: -700.302475
where:
bonds (distance) C4'-P energy: -142.843
bonds (distance) P-C4' energy: -135.133
flat angles C4'-P-C4' energy: -167.918
flat angles P-C4'-P energy: -95.902
tors. eta vs tors. theta energy: -158.506
Dist. restrs. and SS energy: 1.993 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -1976.198423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.198423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.362762 (E_RNA)
where:
Base-Base interactions energy: -1313.219
where: short stacking energy: -568.054
Base-Backbone interact. energy: -1.326
local terms energy: -664.818106
where:
bonds (distance) C4'-P energy: -124.907
bonds (distance) P-C4' energy: -132.934
flat angles C4'-P-C4' energy: -149.082
flat angles P-C4'-P energy: -96.928
tors. eta vs tors. theta energy: -160.967
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: 5
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -1829.030143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.030143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.132106 (E_RNA)
where:
Base-Base interactions energy: -1287.256
where: short stacking energy: -528.089
Base-Backbone interact. energy: -0.971
local terms energy: -545.904262
where:
bonds (distance) C4'-P energy: -100.828
bonds (distance) P-C4' energy: -118.246
flat angles C4'-P-C4' energy: -116.657
flat angles P-C4'-P energy: -85.679
tors. eta vs tors. theta energy: -124.495
Dist. restrs. and SS energy: 5.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -2942.297539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2942.297539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2944.847598 (E_RNA)
where:
Base-Base interactions energy: -2075.542
where: short stacking energy: -852.625
Base-Backbone interact. energy: -5.310
local terms energy: -863.995812
where:
bonds (distance) C4'-P energy: -148.458
bonds (distance) P-C4' energy: -152.303
flat angles C4'-P-C4' energy: -192.093
flat angles P-C4'-P energy: -118.400
tors. eta vs tors. theta energy: -252.742
Dist. restrs. and SS energy: 2.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -2838.494461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2838.494461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2841.300028 (E_RNA)
where:
Base-Base interactions energy: -1942.277
where: short stacking energy: -828.048
Base-Backbone interact. energy: -1.162
local terms energy: -897.861465
where:
bonds (distance) C4'-P energy: -163.009
bonds (distance) P-C4' energy: -174.997
flat angles C4'-P-C4' energy: -188.140
flat angles P-C4'-P energy: -127.745
tors. eta vs tors. theta energy: -243.971
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: 3, replica: 10
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -2727.119386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.119386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.139709 (E_RNA)
where:
Base-Base interactions energy: -1893.704
where: short stacking energy: -779.150
Base-Backbone interact. energy: -2.823
local terms energy: -831.612864
where:
bonds (distance) C4'-P energy: -147.941
bonds (distance) P-C4' energy: -158.569
flat angles C4'-P-C4' energy: -173.115
flat angles P-C4'-P energy: -124.304
tors. eta vs tors. theta energy: -227.685
Dist. restrs. and SS energy: 1.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -2611.736338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.736338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.655860 (E_RNA)
where:
Base-Base interactions energy: -1805.868
where: short stacking energy: -747.090
Base-Backbone interact. energy: -1.660
local terms energy: -807.127663
where:
bonds (distance) C4'-P energy: -149.560
bonds (distance) P-C4' energy: -154.644
flat angles C4'-P-C4' energy: -161.420
flat angles P-C4'-P energy: -133.313
tors. eta vs tors. theta energy: -208.190
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: 5, replica: 3
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -2527.964118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.964118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.033741 (E_RNA)
where:
Base-Base interactions energy: -1750.576
where: short stacking energy: -724.538
Base-Backbone interact. energy: -1.003
local terms energy: -780.454063
where:
bonds (distance) C4'-P energy: -145.382
bonds (distance) P-C4' energy: -141.005
flat angles C4'-P-C4' energy: -161.552
flat angles P-C4'-P energy: -122.158
tors. eta vs tors. theta energy: -210.357
Dist. restrs. and SS energy: 4.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -2328.099722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.099722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.063713 (E_RNA)
where:
Base-Base interactions energy: -1624.587
where: short stacking energy: -685.986
Base-Backbone interact. energy: 0.245
local terms energy: -705.721905
where:
bonds (distance) C4'-P energy: -126.698
bonds (distance) P-C4' energy: -128.992
flat angles C4'-P-C4' energy: -169.363
flat angles P-C4'-P energy: -85.765
tors. eta vs tors. theta energy: -194.904
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: 6
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -2175.081817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.081817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.843648 (E_RNA)
where:
Base-Base interactions energy: -1531.413
where: short stacking energy: -636.457
Base-Backbone interact. energy: -1.517
local terms energy: -644.913146
where:
bonds (distance) C4'-P energy: -120.402
bonds (distance) P-C4' energy: -116.826
flat angles C4'-P-C4' energy: -141.164
flat angles P-C4'-P energy: -93.672
tors. eta vs tors. theta energy: -172.849
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: 8, replica: 8
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -2041.281359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.281359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.567344 (E_RNA)
where:
Base-Base interactions energy: -1358.275
where: short stacking energy: -594.460
Base-Backbone interact. energy: 2.400
local terms energy: -692.692322
where:
bonds (distance) C4'-P energy: -135.737
bonds (distance) P-C4' energy: -137.650
flat angles C4'-P-C4' energy: -168.627
flat angles P-C4'-P energy: -99.377
tors. eta vs tors. theta energy: -151.301
Dist. restrs. and SS energy: 7.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -1928.440280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.440280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.640940 (E_RNA)
where:
Base-Base interactions energy: -1286.230
where: short stacking energy: -515.696
Base-Backbone interact. energy: 1.072
local terms energy: -647.482769
where:
bonds (distance) C4'-P energy: -128.305
bonds (distance) P-C4' energy: -142.188
flat angles C4'-P-C4' energy: -147.312
flat angles P-C4'-P energy: -97.415
tors. eta vs tors. theta energy: -132.262
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: 10, replica: 4
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -1906.915813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.915813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.180405 (E_RNA)
where:
Base-Base interactions energy: -1314.536
where: short stacking energy: -569.233
Base-Backbone interact. energy: 5.265
local terms energy: -600.909100
where:
bonds (distance) C4'-P energy: -124.057
bonds (distance) P-C4' energy: -101.871
flat angles C4'-P-C4' energy: -146.081
flat angles P-C4'-P energy: -78.283
tors. eta vs tors. theta energy: -150.617
Dist. restrs. and SS energy: 3.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -2961.835061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2961.835061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2964.606921 (E_RNA)
where:
Base-Base interactions energy: -2081.555
where: short stacking energy: -861.704
Base-Backbone interact. energy: -6.614
local terms energy: -876.438208
where:
bonds (distance) C4'-P energy: -147.150
bonds (distance) P-C4' energy: -158.914
flat angles C4'-P-C4' energy: -191.000
flat angles P-C4'-P energy: -133.150
tors. eta vs tors. theta energy: -246.225
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: 2, replica: 2
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -2855.915844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2855.915844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2857.875933 (E_RNA)
where:
Base-Base interactions energy: -1981.742
where: short stacking energy: -804.226
Base-Backbone interact. energy: 5.217
local terms energy: -881.351336
where:
bonds (distance) C4'-P energy: -165.654
bonds (distance) P-C4' energy: -157.020
flat angles C4'-P-C4' energy: -181.915
flat angles P-C4'-P energy: -126.432
tors. eta vs tors. theta energy: -250.331
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: 10
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -2732.067571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.067571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.654912 (E_RNA)
where:
Base-Base interactions energy: -1924.336
where: short stacking energy: -790.757
Base-Backbone interact. energy: -2.219
local terms energy: -807.099768
where:
bonds (distance) C4'-P energy: -135.116
bonds (distance) P-C4' energy: -165.981
flat angles C4'-P-C4' energy: -174.946
flat angles P-C4'-P energy: -97.194
tors. eta vs tors. theta energy: -233.863
Dist. restrs. and SS energy: 1.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -2680.815614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.815614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.864056 (E_RNA)
where:
Base-Base interactions energy: -1836.487
where: short stacking energy: -795.125
Base-Backbone interact. energy: 2.340
local terms energy: -847.717743
where:
bonds (distance) C4'-P energy: -167.046
bonds (distance) P-C4' energy: -152.353
flat angles C4'-P-C4' energy: -174.956
flat angles P-C4'-P energy: -123.675
tors. eta vs tors. theta energy: -229.688
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: 5, replica: 3
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -2475.805233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.805233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.271605 (E_RNA)
where:
Base-Base interactions energy: -1704.894
where: short stacking energy: -744.518
Base-Backbone interact. energy: -1.614
local terms energy: -771.763626
where:
bonds (distance) C4'-P energy: -143.337
bonds (distance) P-C4' energy: -134.949
flat angles C4'-P-C4' energy: -163.126
flat angles P-C4'-P energy: -114.603
tors. eta vs tors. theta energy: -215.749
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: 6, replica: 1
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -2334.891362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.891362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.789177 (E_RNA)
where:
Base-Base interactions energy: -1646.302
where: short stacking energy: -684.115
Base-Backbone interact. energy: -3.058
local terms energy: -687.428945
where:
bonds (distance) C4'-P energy: -135.049
bonds (distance) P-C4' energy: -114.570
flat angles C4'-P-C4' energy: -162.597
flat angles P-C4'-P energy: -100.478
tors. eta vs tors. theta energy: -174.734
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: 6
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -2233.344685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.344685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.013569 (E_RNA)
where:
Base-Base interactions energy: -1537.364
where: short stacking energy: -648.484
Base-Backbone interact. energy: 0.254
local terms energy: -699.903021
where:
bonds (distance) C4'-P energy: -135.770
bonds (distance) P-C4' energy: -130.553
flat angles C4'-P-C4' energy: -132.737
flat angles P-C4'-P energy: -95.616
tors. eta vs tors. theta energy: -205.227
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: 8, replica: 8
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -2063.503742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.503742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.194907 (E_RNA)
where:
Base-Base interactions energy: -1402.961
where: short stacking energy: -608.800
Base-Backbone interact. energy: -2.203
local terms energy: -662.031130
where:
bonds (distance) C4'-P energy: -136.565
bonds (distance) P-C4' energy: -134.670
flat angles C4'-P-C4' energy: -156.591
flat angles P-C4'-P energy: -82.993
tors. eta vs tors. theta energy: -151.212
Dist. restrs. and SS energy: 3.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -1922.911624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.911624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.606212 (E_RNA)
where:
Base-Base interactions energy: -1330.118
where: short stacking energy: -546.086
Base-Backbone interact. energy: 1.351
local terms energy: -598.838878
where:
bonds (distance) C4'-P energy: -127.135
bonds (distance) P-C4' energy: -112.587
flat angles C4'-P-C4' energy: -147.669
flat angles P-C4'-P energy: -77.657
tors. eta vs tors. theta energy: -133.791
Dist. restrs. and SS energy: 4.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -1849.835245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.835245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.137278 (E_RNA)
where:
Base-Base interactions energy: -1252.811
where: short stacking energy: -508.808
Base-Backbone interact. energy: 7.888
local terms energy: -609.214800
where:
bonds (distance) C4'-P energy: -123.437
bonds (distance) P-C4' energy: -122.237
flat angles C4'-P-C4' energy: -137.794
flat angles P-C4'-P energy: -96.507
tors. eta vs tors. theta energy: -129.240
Dist. restrs. and SS energy: 4.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -2988.738473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2988.738473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2992.259022 (E_RNA)
where:
Base-Base interactions energy: -2088.852
where: short stacking energy: -867.357
Base-Backbone interact. energy: -0.977
local terms energy: -902.429960
where:
bonds (distance) C4'-P energy: -171.170
bonds (distance) P-C4' energy: -167.833
flat angles C4'-P-C4' energy: -179.495
flat angles P-C4'-P energy: -138.353
tors. eta vs tors. theta energy: -245.580
Dist. restrs. and SS energy: 3.521 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -2813.638004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.638004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.073363 (E_RNA)
where:
Base-Base interactions energy: -1934.016
where: short stacking energy: -813.079
Base-Backbone interact. energy: -2.501
local terms energy: -878.556222
where:
bonds (distance) C4'-P energy: -168.224
bonds (distance) P-C4' energy: -166.616
flat angles C4'-P-C4' energy: -173.111
flat angles P-C4'-P energy: -127.698
tors. eta vs tors. theta energy: -242.908
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: 10
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -2738.542023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.542023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.267257 (E_RNA)
where:
Base-Base interactions energy: -1897.157
where: short stacking energy: -793.873
Base-Backbone interact. energy: -2.815
local terms energy: -840.295563
where:
bonds (distance) C4'-P energy: -164.408
bonds (distance) P-C4' energy: -151.076
flat angles C4'-P-C4' energy: -162.840
flat angles P-C4'-P energy: -122.162
tors. eta vs tors. theta energy: -239.809
Dist. restrs. and SS energy: 1.725 (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: 9
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -2672.125117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.125117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.690430 (E_RNA)
where:
Base-Base interactions energy: -1865.153
where: short stacking energy: -778.308
Base-Backbone interact. energy: -4.213
local terms energy: -804.323508
where:
bonds (distance) C4'-P energy: -147.599
bonds (distance) P-C4' energy: -143.216
flat angles C4'-P-C4' energy: -175.236
flat angles P-C4'-P energy: -117.968
tors. eta vs tors. theta energy: -220.305
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: 3
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -2454.164463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.164463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.184411 (E_RNA)
where:
Base-Base interactions energy: -1668.959
where: short stacking energy: -716.364
Base-Backbone interact. energy: -0.825
local terms energy: -787.401273
where:
bonds (distance) C4'-P energy: -142.604
bonds (distance) P-C4' energy: -156.330
flat angles C4'-P-C4' energy: -169.575
flat angles P-C4'-P energy: -109.750
tors. eta vs tors. theta energy: -209.142
Dist. restrs. and SS energy: 3.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -2299.702181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.702181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.690366 (E_RNA)
where:
Base-Base interactions energy: -1596.303
where: short stacking energy: -653.416
Base-Backbone interact. energy: -1.715
local terms energy: -703.671608
where:
bonds (distance) C4'-P energy: -121.204
bonds (distance) P-C4' energy: -147.534
flat angles C4'-P-C4' energy: -163.994
flat angles P-C4'-P energy: -96.243
tors. eta vs tors. theta energy: -174.697
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: 7, replica: 6
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -2226.492976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.492976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.767450 (E_RNA)
where:
Base-Base interactions energy: -1532.233
where: short stacking energy: -625.022
Base-Backbone interact. energy: -2.641
local terms energy: -693.893868
where:
bonds (distance) C4'-P energy: -135.118
bonds (distance) P-C4' energy: -154.882
flat angles C4'-P-C4' energy: -148.258
flat angles P-C4'-P energy: -80.144
tors. eta vs tors. theta energy: -175.491
Dist. restrs. and SS energy: 2.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -2011.589096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.589096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.343702 (E_RNA)
where:
Base-Base interactions energy: -1330.188
where: short stacking energy: -557.764
Base-Backbone interact. energy: -1.432
local terms energy: -682.723650
where:
bonds (distance) C4'-P energy: -137.984
bonds (distance) P-C4' energy: -156.406
flat angles C4'-P-C4' energy: -151.000
flat angles P-C4'-P energy: -77.571
tors. eta vs tors. theta energy: -159.764
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: 9, replica: 4
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -2019.181472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.181472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.647075 (E_RNA)
where:
Base-Base interactions energy: -1380.268
where: short stacking energy: -609.227
Base-Backbone interact. energy: -1.355
local terms energy: -639.023652
where:
bonds (distance) C4'-P energy: -139.996
bonds (distance) P-C4' energy: -113.748
flat angles C4'-P-C4' energy: -144.237
flat angles P-C4'-P energy: -90.671
tors. eta vs tors. theta energy: -150.370
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: 10, replica: 5
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -1889.457831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.457831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.565240 (E_RNA)
where:
Base-Base interactions energy: -1289.471
where: short stacking energy: -548.252
Base-Backbone interact. energy: -2.626
local terms energy: -600.468021
where:
bonds (distance) C4'-P energy: -116.330
bonds (distance) P-C4' energy: -146.036
flat angles C4'-P-C4' energy: -108.650
flat angles P-C4'-P energy: -79.702
tors. eta vs tors. theta energy: -149.750
Dist. restrs. and SS energy: 3.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -2981.501946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2981.501946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2984.719284 (E_RNA)
where:
Base-Base interactions energy: -2076.922
where: short stacking energy: -832.633
Base-Backbone interact. energy: -0.454
local terms energy: -907.342704
where:
bonds (distance) C4'-P energy: -165.590
bonds (distance) P-C4' energy: -171.292
flat angles C4'-P-C4' energy: -190.817
flat angles P-C4'-P energy: -131.956
tors. eta vs tors. theta energy: -247.688
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: 2, replica: 2
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -2833.350411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2833.350411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2834.474401 (E_RNA)
where:
Base-Base interactions energy: -1994.250
where: short stacking energy: -859.690
Base-Backbone interact. energy: -0.881
local terms energy: -839.343428
where:
bonds (distance) C4'-P energy: -131.270
bonds (distance) P-C4' energy: -157.325
flat angles C4'-P-C4' energy: -186.967
flat angles P-C4'-P energy: -113.436
tors. eta vs tors. theta energy: -250.345
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: 10
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -2755.018641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.018641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.598031 (E_RNA)
where:
Base-Base interactions energy: -1911.319
where: short stacking energy: -812.192
Base-Backbone interact. energy: -2.950
local terms energy: -843.328464
where:
bonds (distance) C4'-P energy: -151.866
bonds (distance) P-C4' energy: -144.813
flat angles C4'-P-C4' energy: -183.329
flat angles P-C4'-P energy: -116.668
tors. eta vs tors. theta energy: -246.653
Dist. restrs. and SS energy: 2.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -2592.225887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.225887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.882021 (E_RNA)
where:
Base-Base interactions energy: -1816.472
where: short stacking energy: -745.685
Base-Backbone interact. energy: -0.905
local terms energy: -776.505143
where:
bonds (distance) C4'-P energy: -135.260
bonds (distance) P-C4' energy: -139.289
flat angles C4'-P-C4' energy: -174.340
flat angles P-C4'-P energy: -111.032
tors. eta vs tors. theta energy: -216.584
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: 5, replica: 3
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -2488.918409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.918409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.329913 (E_RNA)
where:
Base-Base interactions energy: -1719.292
where: short stacking energy: -707.508
Base-Backbone interact. energy: -1.509
local terms energy: -770.528665
where:
bonds (distance) C4'-P energy: -137.842
bonds (distance) P-C4' energy: -153.903
flat angles C4'-P-C4' energy: -166.922
flat angles P-C4'-P energy: -110.863
tors. eta vs tors. theta energy: -200.999
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: 6, replica: 1
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -2309.469965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.469965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.199560 (E_RNA)
where:
Base-Base interactions energy: -1591.519
where: short stacking energy: -660.574
Base-Backbone interact. energy: -4.586
local terms energy: -715.094720
where:
bonds (distance) C4'-P energy: -145.535
bonds (distance) P-C4' energy: -140.452
flat angles C4'-P-C4' energy: -159.357
flat angles P-C4'-P energy: -86.263
tors. eta vs tors. theta energy: -183.488
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: 7, replica: 6
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -2272.573225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.573225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.094393 (E_RNA)
where:
Base-Base interactions energy: -1601.759
where: short stacking energy: -680.382
Base-Backbone interact. energy: 1.456
local terms energy: -673.790959
where:
bonds (distance) C4'-P energy: -131.029
bonds (distance) P-C4' energy: -124.076
flat angles C4'-P-C4' energy: -140.010
flat angles P-C4'-P energy: -102.411
tors. eta vs tors. theta energy: -176.266
Dist. restrs. and SS energy: 1.521 (S_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: 493
Temperature: 1.250000
Total energy: -2061.221993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.221993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.485007 (E_RNA)
where:
Base-Base interactions energy: -1417.216
where: short stacking energy: -616.089
Base-Backbone interact. energy: 1.650
local terms energy: -647.918340
where:
bonds (distance) C4'-P energy: -110.459
bonds (distance) P-C4' energy: -143.324
flat angles C4'-P-C4' energy: -136.126
flat angles P-C4'-P energy: -99.762
tors. eta vs tors. theta energy: -158.247
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: 9, replica: 4
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -1939.210467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.210467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.796611 (E_RNA)
where:
Base-Base interactions energy: -1305.964
where: short stacking energy: -561.196
Base-Backbone interact. energy: -3.250
local terms energy: -633.582266
where:
bonds (distance) C4'-P energy: -139.893
bonds (distance) P-C4' energy: -132.651
flat angles C4'-P-C4' energy: -137.640
flat angles P-C4'-P energy: -80.727
tors. eta vs tors. theta energy: -142.672
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: 10, replica: 5
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -1903.563003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.563003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.485184 (E_RNA)
where:
Base-Base interactions energy: -1302.769
where: short stacking energy: -540.313
Base-Backbone interact. energy: -3.626
local terms energy: -600.090374
where:
bonds (distance) C4'-P energy: -114.061
bonds (distance) P-C4' energy: -101.133
flat angles C4'-P-C4' energy: -153.222
flat angles P-C4'-P energy: -93.237
tors. eta vs tors. theta energy: -138.437
Dist. restrs. and SS energy: 2.922 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -2953.527077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2953.527077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2956.034513 (E_RNA)
where:
Base-Base interactions energy: -2077.688
where: short stacking energy: -860.578
Base-Backbone interact. energy: -6.066
local terms energy: -872.280725
where:
bonds (distance) C4'-P energy: -153.618
bonds (distance) P-C4' energy: -167.281
flat angles C4'-P-C4' energy: -179.427
flat angles P-C4'-P energy: -113.299
tors. eta vs tors. theta energy: -258.655
Dist. restrs. and SS energy: 2.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -2812.450659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.450659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.712463 (E_RNA)
where:
Base-Base interactions energy: -1959.439
where: short stacking energy: -805.579
Base-Backbone interact. energy: -0.658
local terms energy: -854.615571
where:
bonds (distance) C4'-P energy: -140.593
bonds (distance) P-C4' energy: -156.777
flat angles C4'-P-C4' energy: -183.241
flat angles P-C4'-P energy: -127.829
tors. eta vs tors. theta energy: -246.177
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: 3, replica: 10
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -2783.605373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.605373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.119285 (E_RNA)
where:
Base-Base interactions energy: -1931.730
where: short stacking energy: -843.193
Base-Backbone interact. energy: 0.068
local terms energy: -854.457434
where:
bonds (distance) C4'-P energy: -159.837
bonds (distance) P-C4' energy: -145.716
flat angles C4'-P-C4' energy: -176.104
flat angles P-C4'-P energy: -128.517
tors. eta vs tors. theta energy: -244.284
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: 4, replica: 9
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -2593.493533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.493533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.086125 (E_RNA)
where:
Base-Base interactions energy: -1782.325
where: short stacking energy: -756.310
Base-Backbone interact. energy: -3.076
local terms energy: -810.684850
where:
bonds (distance) C4'-P energy: -149.140
bonds (distance) P-C4' energy: -166.126
flat angles C4'-P-C4' energy: -171.689
flat angles P-C4'-P energy: -105.778
tors. eta vs tors. theta energy: -217.952
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: 5, replica: 3
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -2445.129761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.129761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.743624 (E_RNA)
where:
Base-Base interactions energy: -1680.055
where: short stacking energy: -704.077
Base-Backbone interact. energy: -0.509
local terms energy: -767.178808
where:
bonds (distance) C4'-P energy: -145.915
bonds (distance) P-C4' energy: -142.137
flat angles C4'-P-C4' energy: -171.948
flat angles P-C4'-P energy: -104.012
tors. eta vs tors. theta energy: -203.168
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: 1
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -2336.209420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.209420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.369936 (E_RNA)
where:
Base-Base interactions energy: -1589.101
where: short stacking energy: -682.647
Base-Backbone interact. energy: 0.931
local terms energy: -750.200010
where:
bonds (distance) C4'-P energy: -150.705
bonds (distance) P-C4' energy: -150.788
flat angles C4'-P-C4' energy: -160.535
flat angles P-C4'-P energy: -90.905
tors. eta vs tors. theta energy: -197.267
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: 7, replica: 6
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -2230.845378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.845378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.863205 (E_RNA)
where:
Base-Base interactions energy: -1546.810
where: short stacking energy: -650.870
Base-Backbone interact. energy: -0.990
local terms energy: -685.063755
where:
bonds (distance) C4'-P energy: -123.698
bonds (distance) P-C4' energy: -124.222
flat angles C4'-P-C4' energy: -165.210
flat angles P-C4'-P energy: -83.102
tors. eta vs tors. theta energy: -188.831
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: 8
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -2026.258696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.258696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.030493 (E_RNA)
where:
Base-Base interactions energy: -1393.446
where: short stacking energy: -595.561
Base-Backbone interact. energy: 2.852
local terms energy: -638.436533
where:
bonds (distance) C4'-P energy: -119.794
bonds (distance) P-C4' energy: -132.207
flat angles C4'-P-C4' energy: -153.219
flat angles P-C4'-P energy: -86.864
tors. eta vs tors. theta energy: -146.353
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: 9, replica: 4
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -1991.799006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.799006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.700851 (E_RNA)
where:
Base-Base interactions energy: -1341.299
where: short stacking energy: -589.273
Base-Backbone interact. energy: 0.412
local terms energy: -654.814009
where:
bonds (distance) C4'-P energy: -132.096
bonds (distance) P-C4' energy: -134.671
flat angles C4'-P-C4' energy: -149.674
flat angles P-C4'-P energy: -81.725
tors. eta vs tors. theta energy: -156.648
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: 10, replica: 5
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -1885.882565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.882565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.245184 (E_RNA)
where:
Base-Base interactions energy: -1299.838
where: short stacking energy: -556.823
Base-Backbone interact. energy: -2.681
local terms energy: -585.726005
where:
bonds (distance) C4'-P energy: -118.402
bonds (distance) P-C4' energy: -114.364
flat angles C4'-P-C4' energy: -135.972
flat angles P-C4'-P energy: -74.085
tors. eta vs tors. theta energy: -142.904
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: 1, replica: 7
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -2964.864814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2964.864814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2967.477724 (E_RNA)
where:
Base-Base interactions energy: -2089.953
where: short stacking energy: -861.222
Base-Backbone interact. energy: 0.608
local terms energy: -878.132432
where:
bonds (distance) C4'-P energy: -155.636
bonds (distance) P-C4' energy: -172.324
flat angles C4'-P-C4' energy: -195.259
flat angles P-C4'-P energy: -104.469
tors. eta vs tors. theta energy: -250.444
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: 2, replica: 2
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -2849.596315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2849.596315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2851.410385 (E_RNA)
where:
Base-Base interactions energy: -1978.701
where: short stacking energy: -841.711
Base-Backbone interact. energy: -4.080
local terms energy: -868.629555
where:
bonds (distance) C4'-P energy: -151.799
bonds (distance) P-C4' energy: -152.247
flat angles C4'-P-C4' energy: -185.040
flat angles P-C4'-P energy: -123.274
tors. eta vs tors. theta energy: -256.269
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: 3, replica: 10
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -2695.635361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.635361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.662281 (E_RNA)
where:
Base-Base interactions energy: -1859.880
where: short stacking energy: -775.931
Base-Backbone interact. energy: 4.731
local terms energy: -841.513383
where:
bonds (distance) C4'-P energy: -150.537
bonds (distance) P-C4' energy: -138.343
flat angles C4'-P-C4' energy: -192.554
flat angles P-C4'-P energy: -130.924
tors. eta vs tors. theta energy: -229.155
Dist. restrs. and SS energy: 1.027 (S_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: 495
Temperature: 1.050000
Total energy: -2601.333133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.333133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.858732 (E_RNA)
where:
Base-Base interactions energy: -1796.381
where: short stacking energy: -750.293
Base-Backbone interact. energy: -2.478
local terms energy: -803.999820
where:
bonds (distance) C4'-P energy: -141.389
bonds (distance) P-C4' energy: -158.047
flat angles C4'-P-C4' energy: -168.705
flat angles P-C4'-P energy: -121.661
tors. eta vs tors. theta energy: -214.198
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: 5, replica: 3
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -2441.632396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.632396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.890220 (E_RNA)
where:
Base-Base interactions energy: -1676.751
where: short stacking energy: -695.174
Base-Backbone interact. energy: 3.130
local terms energy: -771.268989
where:
bonds (distance) C4'-P energy: -145.128
bonds (distance) P-C4' energy: -154.084
flat angles C4'-P-C4' energy: -164.739
flat angles P-C4'-P energy: -111.529
tors. eta vs tors. theta energy: -195.789
Dist. restrs. and SS energy: 3.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -2351.124907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.124907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.903352 (E_RNA)
where:
Base-Base interactions energy: -1606.719
where: short stacking energy: -686.944
Base-Backbone interact. energy: -0.940
local terms energy: -745.244530
where:
bonds (distance) C4'-P energy: -140.358
bonds (distance) P-C4' energy: -149.699
flat angles C4'-P-C4' energy: -158.778
flat angles P-C4'-P energy: -103.569
tors. eta vs tors. theta energy: -192.841
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: 7, replica: 6
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -2254.397122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.397122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.374924 (E_RNA)
where:
Base-Base interactions energy: -1539.748
where: short stacking energy: -644.736
Base-Backbone interact. energy: 0.129
local terms energy: -716.755773
where:
bonds (distance) C4'-P energy: -149.298
bonds (distance) P-C4' energy: -142.551
flat angles C4'-P-C4' energy: -158.777
flat angles P-C4'-P energy: -79.738
tors. eta vs tors. theta energy: -186.392
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: 8, replica: 8
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -2017.183345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.183345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.388908 (E_RNA)
where:
Base-Base interactions energy: -1357.364
where: short stacking energy: -586.838
Base-Backbone interact. energy: -4.531
local terms energy: -659.493466
where:
bonds (distance) C4'-P energy: -121.763
bonds (distance) P-C4' energy: -148.819
flat angles C4'-P-C4' energy: -151.863
flat angles P-C4'-P energy: -88.575
tors. eta vs tors. theta energy: -148.472
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: 9, replica: 4
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -1934.726013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.726013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.743794 (E_RNA)
where:
Base-Base interactions energy: -1299.804
where: short stacking energy: -535.672
Base-Backbone interact. energy: 2.973
local terms energy: -639.913059
where:
bonds (distance) C4'-P energy: -120.188
bonds (distance) P-C4' energy: -124.201
flat angles C4'-P-C4' energy: -147.796
flat angles P-C4'-P energy: -97.899
tors. eta vs tors. theta energy: -149.829
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: 5
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -1909.881004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.881004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.790197 (E_RNA)
where:
Base-Base interactions energy: -1273.601
where: short stacking energy: -550.212
Base-Backbone interact. energy: 3.378
local terms energy: -642.567761
where:
bonds (distance) C4'-P energy: -111.799
bonds (distance) P-C4' energy: -152.761
flat angles C4'-P-C4' energy: -138.197
flat angles P-C4'-P energy: -101.986
tors. eta vs tors. theta energy: -137.825
Dist. restrs. and SS energy: 2.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -2991.496537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2991.496537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2993.186005 (E_RNA)
where:
Base-Base interactions energy: -2106.522
where: short stacking energy: -868.509
Base-Backbone interact. energy: -2.539
local terms energy: -884.124212
where:
bonds (distance) C4'-P energy: -158.688
bonds (distance) P-C4' energy: -170.024
flat angles C4'-P-C4' energy: -180.124
flat angles P-C4'-P energy: -123.958
tors. eta vs tors. theta energy: -251.330
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: 2
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -2843.821394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.821394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2844.588488 (E_RNA)
where:
Base-Base interactions energy: -1963.721
where: short stacking energy: -843.526
Base-Backbone interact. energy: 2.733
local terms energy: -883.600506
where:
bonds (distance) C4'-P energy: -160.604
bonds (distance) P-C4' energy: -152.281
flat angles C4'-P-C4' energy: -186.810
flat angles P-C4'-P energy: -128.955
tors. eta vs tors. theta energy: -254.950
Dist. restrs. and SS energy: 0.767 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -2732.289112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.289112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.180148 (E_RNA)
where:
Base-Base interactions energy: -1917.107
where: short stacking energy: -803.832
Base-Backbone interact. energy: -2.026
local terms energy: -815.047252
where:
bonds (distance) C4'-P energy: -144.831
bonds (distance) P-C4' energy: -138.859
flat angles C4'-P-C4' energy: -186.530
flat angles P-C4'-P energy: -103.813
tors. eta vs tors. theta energy: -241.013
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: 4, replica: 9
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -2584.793313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.793313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.543121 (E_RNA)
where:
Base-Base interactions energy: -1840.310
where: short stacking energy: -738.528
Base-Backbone interact. energy: -0.731
local terms energy: -746.502676
where:
bonds (distance) C4'-P energy: -137.557
bonds (distance) P-C4' energy: -130.534
flat angles C4'-P-C4' energy: -168.604
flat angles P-C4'-P energy: -103.402
tors. eta vs tors. theta energy: -206.405
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: 5, replica: 3
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -2417.014072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.014072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.893029 (E_RNA)
where:
Base-Base interactions energy: -1654.287
where: short stacking energy: -704.058
Base-Backbone interact. energy: 1.335
local terms energy: -765.940636
where:
bonds (distance) C4'-P energy: -133.883
bonds (distance) P-C4' energy: -155.425
flat angles C4'-P-C4' energy: -164.868
flat angles P-C4'-P energy: -112.338
tors. eta vs tors. theta energy: -199.426
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: 1
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -2358.868316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.868316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.005680 (E_RNA)
where:
Base-Base interactions energy: -1605.411
where: short stacking energy: -682.680
Base-Backbone interact. energy: 0.731
local terms energy: -757.325791
where:
bonds (distance) C4'-P energy: -136.891
bonds (distance) P-C4' energy: -149.761
flat angles C4'-P-C4' energy: -165.689
flat angles P-C4'-P energy: -122.131
tors. eta vs tors. theta energy: -182.855
Dist. restrs. and SS energy: 3.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -2257.791481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.791481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.910738 (E_RNA)
where:
Base-Base interactions energy: -1568.925
where: short stacking energy: -671.681
Base-Backbone interact. energy: -4.322
local terms energy: -686.663077
where:
bonds (distance) C4'-P energy: -119.172
bonds (distance) P-C4' energy: -128.835
flat angles C4'-P-C4' energy: -157.215
flat angles P-C4'-P energy: -93.964
tors. eta vs tors. theta energy: -187.478
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: 8, replica: 8
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -2058.333725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.333725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.096523 (E_RNA)
where:
Base-Base interactions energy: -1400.925
where: short stacking energy: -554.306
Base-Backbone interact. energy: 1.048
local terms energy: -661.219984
where:
bonds (distance) C4'-P energy: -130.610
bonds (distance) P-C4' energy: -134.710
flat angles C4'-P-C4' energy: -158.093
flat angles P-C4'-P energy: -97.634
tors. eta vs tors. theta energy: -140.173
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: 9, replica: 4
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -1967.739277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.739277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.565983 (E_RNA)
where:
Base-Base interactions energy: -1356.727
where: short stacking energy: -588.365
Base-Backbone interact. energy: -2.291
local terms energy: -610.547992
where:
bonds (distance) C4'-P energy: -111.512
bonds (distance) P-C4' energy: -125.438
flat angles C4'-P-C4' energy: -132.759
flat angles P-C4'-P energy: -87.481
tors. eta vs tors. theta energy: -153.359
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: 10, replica: 5
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -1919.516073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.516073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.534403 (E_RNA)
where:
Base-Base interactions energy: -1304.420
where: short stacking energy: -541.131
Base-Backbone interact. energy: -0.899
local terms energy: -617.215692
where:
bonds (distance) C4'-P energy: -118.041
bonds (distance) P-C4' energy: -117.249
flat angles C4'-P-C4' energy: -146.377
flat angles P-C4'-P energy: -103.552
tors. eta vs tors. theta energy: -131.996
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: 1, replica: 7
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -2960.121665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2960.121665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2964.111503 (E_RNA)
where:
Base-Base interactions energy: -2080.382
where: short stacking energy: -859.200
Base-Backbone interact. energy: -4.560
local terms energy: -879.169012
where:
bonds (distance) C4'-P energy: -146.859
bonds (distance) P-C4' energy: -162.040
flat angles C4'-P-C4' energy: -191.891
flat angles P-C4'-P energy: -126.754
tors. eta vs tors. theta energy: -251.626
Dist. restrs. and SS energy: 3.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -2809.221002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.221002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.318967 (E_RNA)
where:
Base-Base interactions energy: -1950.410
where: short stacking energy: -802.760
Base-Backbone interact. energy: -1.562
local terms energy: -859.346959
where:
bonds (distance) C4'-P energy: -158.931
bonds (distance) P-C4' energy: -161.929
flat angles C4'-P-C4' energy: -175.533
flat angles P-C4'-P energy: -127.418
tors. eta vs tors. theta energy: -235.536
Dist. restrs. and SS energy: 2.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -2693.382685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.382685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.441330 (E_RNA)
where:
Base-Base interactions energy: -1860.896
where: short stacking energy: -765.760
Base-Backbone interact. energy: 2.066
local terms energy: -835.611709
where:
bonds (distance) C4'-P energy: -147.365
bonds (distance) P-C4' energy: -154.742
flat angles C4'-P-C4' energy: -183.495
flat angles P-C4'-P energy: -125.046
tors. eta vs tors. theta energy: -224.964
Dist. restrs. and SS energy: 1.059 (S_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: 497
Temperature: 1.050000
Total energy: -2582.958435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.958435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.605761 (E_RNA)
where:
Base-Base interactions energy: -1794.146
where: short stacking energy: -717.495
Base-Backbone interact. energy: -3.932
local terms energy: -788.527696
where:
bonds (distance) C4'-P energy: -138.592
bonds (distance) P-C4' energy: -145.371
flat angles C4'-P-C4' energy: -178.789
flat angles P-C4'-P energy: -121.525
tors. eta vs tors. theta energy: -204.251
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: 5, replica: 3
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -2454.709920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.709920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.402726 (E_RNA)
where:
Base-Base interactions energy: -1678.084
where: short stacking energy: -727.681
Base-Backbone interact. energy: 0.835
local terms energy: -781.153957
where:
bonds (distance) C4'-P energy: -150.809
bonds (distance) P-C4' energy: -151.552
flat angles C4'-P-C4' energy: -160.891
flat angles P-C4'-P energy: -113.288
tors. eta vs tors. theta energy: -204.614
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: 1
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -2327.842166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.842166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.649327 (E_RNA)
where:
Base-Base interactions energy: -1649.050
where: short stacking energy: -669.785
Base-Backbone interact. energy: 3.504
local terms energy: -684.103625
where:
bonds (distance) C4'-P energy: -136.475
bonds (distance) P-C4' energy: -122.386
flat angles C4'-P-C4' energy: -139.793
flat angles P-C4'-P energy: -111.948
tors. eta vs tors. theta energy: -173.502
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: 6
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -2194.713949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.713949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.001255 (E_RNA)
where:
Base-Base interactions energy: -1496.765
where: short stacking energy: -591.154
Base-Backbone interact. energy: 1.490
local terms energy: -701.726418
where:
bonds (distance) C4'-P energy: -150.396
bonds (distance) P-C4' energy: -140.041
flat angles C4'-P-C4' energy: -149.116
flat angles P-C4'-P energy: -99.011
tors. eta vs tors. theta energy: -163.162
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: 8, replica: 8
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -1954.509776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.509776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.112617 (E_RNA)
where:
Base-Base interactions energy: -1356.496
where: short stacking energy: -546.416
Base-Backbone interact. energy: 0.902
local terms energy: -602.518314
where:
bonds (distance) C4'-P energy: -126.449
bonds (distance) P-C4' energy: -127.124
flat angles C4'-P-C4' energy: -135.394
flat angles P-C4'-P energy: -83.971
tors. eta vs tors. theta energy: -129.580
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: 9, replica: 4
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -1930.988718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.988718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.033876 (E_RNA)
where:
Base-Base interactions energy: -1318.709
where: short stacking energy: -555.610
Base-Backbone interact. energy: -3.873
local terms energy: -611.452046
where:
bonds (distance) C4'-P energy: -123.040
bonds (distance) P-C4' energy: -128.267
flat angles C4'-P-C4' energy: -139.642
flat angles P-C4'-P energy: -84.961
tors. eta vs tors. theta energy: -135.543
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: 5
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -1903.050965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.050965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.971038 (E_RNA)
where:
Base-Base interactions energy: -1289.465
where: short stacking energy: -521.005
Base-Backbone interact. energy: -2.647
local terms energy: -613.859054
where:
bonds (distance) C4'-P energy: -123.118
bonds (distance) P-C4' energy: -129.310
flat angles C4'-P-C4' energy: -143.467
flat angles P-C4'-P energy: -91.119
tors. eta vs tors. theta energy: -126.845
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: 7
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -2950.862015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2950.862015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2953.183352 (E_RNA)
where:
Base-Base interactions energy: -2076.575
where: short stacking energy: -840.722
Base-Backbone interact. energy: -5.581
local terms energy: -871.027145
where:
bonds (distance) C4'-P energy: -158.381
bonds (distance) P-C4' energy: -160.565
flat angles C4'-P-C4' energy: -183.839
flat angles P-C4'-P energy: -116.780
tors. eta vs tors. theta energy: -251.462
Dist. restrs. and SS energy: 2.321 (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: 2
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -2840.549281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.549281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2841.923352 (E_RNA)
where:
Base-Base interactions energy: -1936.942
where: short stacking energy: -830.358
Base-Backbone interact. energy: 1.260
local terms energy: -906.240998
where:
bonds (distance) C4'-P energy: -165.809
bonds (distance) P-C4' energy: -167.129
flat angles C4'-P-C4' energy: -187.400
flat angles P-C4'-P energy: -129.282
tors. eta vs tors. theta energy: -256.621
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: 3, replica: 10
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -2685.058661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.058661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.657528 (E_RNA)
where:
Base-Base interactions energy: -1877.887
where: short stacking energy: -784.075
Base-Backbone interact. energy: -4.821
local terms energy: -803.949238
where:
bonds (distance) C4'-P energy: -139.060
bonds (distance) P-C4' energy: -147.547
flat angles C4'-P-C4' energy: -176.551
flat angles P-C4'-P energy: -119.348
tors. eta vs tors. theta energy: -221.443
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: 9
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -2636.406345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.406345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.174477 (E_RNA)
where:
Base-Base interactions energy: -1833.670
where: short stacking energy: -774.981
Base-Backbone interact. energy: -4.855
local terms energy: -799.649830
where:
bonds (distance) C4'-P energy: -155.651
bonds (distance) P-C4' energy: -143.816
flat angles C4'-P-C4' energy: -171.687
flat angles P-C4'-P energy: -115.446
tors. eta vs tors. theta energy: -213.049
Dist. restrs. and SS energy: 1.768 (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: 3
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -2458.342769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.342769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.370240 (E_RNA)
where:
Base-Base interactions energy: -1697.182
where: short stacking energy: -692.456
Base-Backbone interact. energy: 2.465
local terms energy: -766.653226
where:
bonds (distance) C4'-P energy: -139.683
bonds (distance) P-C4' energy: -138.193
flat angles C4'-P-C4' energy: -172.319
flat angles P-C4'-P energy: -113.925
tors. eta vs tors. theta energy: -202.533
Dist. restrs. and SS energy: 3.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -2339.202582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.202582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.742495 (E_RNA)
where:
Base-Base interactions energy: -1600.801
where: short stacking energy: -664.442
Base-Backbone interact. energy: 8.354
local terms energy: -749.295306
where:
bonds (distance) C4'-P energy: -137.733
bonds (distance) P-C4' energy: -152.850
flat angles C4'-P-C4' energy: -156.151
flat angles P-C4'-P energy: -110.518
tors. eta vs tors. theta energy: -192.043
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: 7, replica: 6
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -2231.703094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.703094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.095826 (E_RNA)
where:
Base-Base interactions energy: -1504.422
where: short stacking energy: -666.676
Base-Backbone interact. energy: -2.618
local terms energy: -727.056136
where:
bonds (distance) C4'-P energy: -131.632
bonds (distance) P-C4' energy: -155.491
flat angles C4'-P-C4' energy: -159.740
flat angles P-C4'-P energy: -101.752
tors. eta vs tors. theta energy: -178.441
Dist. restrs. and SS energy: 2.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -1976.782912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.782912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.651615 (E_RNA)
where:
Base-Base interactions energy: -1336.057
where: short stacking energy: -566.229
Base-Backbone interact. energy: 0.127
local terms energy: -642.721145
where:
bonds (distance) C4'-P energy: -116.582
bonds (distance) P-C4' energy: -141.694
flat angles C4'-P-C4' energy: -153.522
flat angles P-C4'-P energy: -95.072
tors. eta vs tors. theta energy: -135.851
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: 9, replica: 4
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -1987.702489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.702489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.258090 (E_RNA)
where:
Base-Base interactions energy: -1351.189
where: short stacking energy: -568.610
Base-Backbone interact. energy: 3.043
local terms energy: -642.112243
where:
bonds (distance) C4'-P energy: -118.808
bonds (distance) P-C4' energy: -147.530
flat angles C4'-P-C4' energy: -135.661
flat angles P-C4'-P energy: -87.623
tors. eta vs tors. theta energy: -152.491
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: 5
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -1886.634849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.634849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.471865 (E_RNA)
where:
Base-Base interactions energy: -1300.349
where: short stacking energy: -553.424
Base-Backbone interact. energy: 10.061
local terms energy: -600.183583
where:
bonds (distance) C4'-P energy: -115.925
bonds (distance) P-C4' energy: -114.359
flat angles C4'-P-C4' energy: -142.483
flat angles P-C4'-P energy: -83.364
tors. eta vs tors. theta energy: -144.053
Dist. restrs. and SS energy: 3.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -2938.263540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2938.263540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2939.733787 (E_RNA)
where:
Base-Base interactions energy: -2037.445
where: short stacking energy: -854.823
Base-Backbone interact. energy: 1.671
local terms energy: -903.959299
where:
bonds (distance) C4'-P energy: -168.550
bonds (distance) P-C4' energy: -151.261
flat angles C4'-P-C4' energy: -191.294
flat angles P-C4'-P energy: -134.739
tors. eta vs tors. theta energy: -258.115
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: 2
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -2833.039487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2833.039487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.051945 (E_RNA)
where:
Base-Base interactions energy: -1958.270
where: short stacking energy: -836.347
Base-Backbone interact. energy: -1.726
local terms energy: -875.055364
where:
bonds (distance) C4'-P energy: -151.662
bonds (distance) P-C4' energy: -154.470
flat angles C4'-P-C4' energy: -191.413
flat angles P-C4'-P energy: -130.538
tors. eta vs tors. theta energy: -246.973
Dist. restrs. and SS energy: 2.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -2713.536882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.536882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.657090 (E_RNA)
where:
Base-Base interactions energy: -1888.240
where: short stacking energy: -766.196
Base-Backbone interact. energy: -3.572
local terms energy: -822.845766
where:
bonds (distance) C4'-P energy: -153.612
bonds (distance) P-C4' energy: -146.586
flat angles C4'-P-C4' energy: -178.718
flat angles P-C4'-P energy: -111.178
tors. eta vs tors. theta energy: -232.752
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: 499
Temperature: 1.050000
Total energy: -2619.035609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.035609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.486043 (E_RNA)
where:
Base-Base interactions energy: -1818.123
where: short stacking energy: -763.398
Base-Backbone interact. energy: -5.290
local terms energy: -798.073189
where:
bonds (distance) C4'-P energy: -128.434
bonds (distance) P-C4' energy: -145.674
flat angles C4'-P-C4' energy: -179.519
flat angles P-C4'-P energy: -125.616
tors. eta vs tors. theta energy: -218.830
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: 3
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -2418.520746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.520746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.133889 (E_RNA)
where:
Base-Base interactions energy: -1678.316
where: short stacking energy: -698.301
Base-Backbone interact. energy: 1.310
local terms energy: -744.128255
where:
bonds (distance) C4'-P energy: -127.976
bonds (distance) P-C4' energy: -149.349
flat angles C4'-P-C4' energy: -171.129
flat angles P-C4'-P energy: -97.806
tors. eta vs tors. theta energy: -197.867
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: 6, replica: 6
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -2308.525807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.525807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.097664 (E_RNA)
where:
Base-Base interactions energy: -1597.429
where: short stacking energy: -673.377
Base-Backbone interact. energy: 3.733
local terms energy: -717.401772
where:
bonds (distance) C4'-P energy: -131.935
bonds (distance) P-C4' energy: -147.305
flat angles C4'-P-C4' energy: -157.996
flat angles P-C4'-P energy: -96.628
tors. eta vs tors. theta energy: -183.538
Dist. restrs. and SS energy: 2.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -2235.002543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.002543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.847812 (E_RNA)
where:
Base-Base interactions energy: -1551.661
where: short stacking energy: -643.582
Base-Backbone interact. energy: -4.146
local terms energy: -681.040808
where:
bonds (distance) C4'-P energy: -117.099
bonds (distance) P-C4' energy: -131.185
flat angles C4'-P-C4' energy: -151.245
flat angles P-C4'-P energy: -104.301
tors. eta vs tors. theta energy: -177.210
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: 8, replica: 4
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -2059.348886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.348886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.958482 (E_RNA)
where:
Base-Base interactions energy: -1370.560
where: short stacking energy: -598.866
Base-Backbone interact. energy: -0.120
local terms energy: -690.278367
where:
bonds (distance) C4'-P energy: -141.272
bonds (distance) P-C4' energy: -149.448
flat angles C4'-P-C4' energy: -164.525
flat angles P-C4'-P energy: -80.463
tors. eta vs tors. theta energy: -154.571
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: 8
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -1909.270871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.270871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.607768 (E_RNA)
where:
Base-Base interactions energy: -1272.897
where: short stacking energy: -524.847
Base-Backbone interact. energy: -2.846
local terms energy: -635.864704
where:
bonds (distance) C4'-P energy: -127.684
bonds (distance) P-C4' energy: -148.053
flat angles C4'-P-C4' energy: -144.364
flat angles P-C4'-P energy: -87.606
tors. eta vs tors. theta energy: -128.159
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: 5
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -1855.857930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.857930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.286324 (E_RNA)
where:
Base-Base interactions energy: -1256.300
where: short stacking energy: -500.533
Base-Backbone interact. energy: 4.729
local terms energy: -606.714848
where:
bonds (distance) C4'-P energy: -131.083
bonds (distance) P-C4' energy: -158.036
flat angles C4'-P-C4' energy: -134.379
flat angles P-C4'-P energy: -73.648
tors. eta vs tors. theta energy: -109.569
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: 1, replica: 7
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -2945.407841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2945.407841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2946.476472 (E_RNA)
where:
Base-Base interactions energy: -2063.586
where: short stacking energy: -842.545
Base-Backbone interact. energy: -0.360
local terms energy: -882.530360
where:
bonds (distance) C4'-P energy: -156.385
bonds (distance) P-C4' energy: -163.518
flat angles C4'-P-C4' energy: -187.267
flat angles P-C4'-P energy: -125.106
tors. eta vs tors. theta energy: -250.256
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: 2, replica: 2
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -2891.033029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2891.033029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2893.987456 (E_RNA)
where:
Base-Base interactions energy: -1990.496
where: short stacking energy: -847.085
Base-Backbone interact. energy: -1.818
local terms energy: -901.673391
where:
bonds (distance) C4'-P energy: -152.330
bonds (distance) P-C4' energy: -171.161
flat angles C4'-P-C4' energy: -193.846
flat angles P-C4'-P energy: -119.362
tors. eta vs tors. theta energy: -264.974
Dist. restrs. and SS energy: 2.954 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -2710.683524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.683524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.587545 (E_RNA)
where:
Base-Base interactions energy: -1893.294
where: short stacking energy: -792.669
Base-Backbone interact. energy: 1.174
local terms energy: -820.467915
where:
bonds (distance) C4'-P energy: -141.943
bonds (distance) P-C4' energy: -150.184
flat angles C4'-P-C4' energy: -177.648
flat angles P-C4'-P energy: -117.164
tors. eta vs tors. theta energy: -233.528
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: 9
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -2624.194834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.194834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.379041 (E_RNA)
where:
Base-Base interactions energy: -1837.912
where: short stacking energy: -760.271
Base-Backbone interact. energy: 5.522
local terms energy: -792.989303
where:
bonds (distance) C4'-P energy: -120.513
bonds (distance) P-C4' energy: -161.610
flat angles C4'-P-C4' energy: -168.494
flat angles P-C4'-P energy: -119.547
tors. eta vs tors. theta energy: -222.825
Dist. restrs. and SS energy: 1.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -2484.588946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.588946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.997655 (E_RNA)
where:
Base-Base interactions energy: -1745.073
where: short stacking energy: -698.103
Base-Backbone interact. energy: -0.939
local terms energy: -740.985705
where:
bonds (distance) C4'-P energy: -156.051
bonds (distance) P-C4' energy: -134.321
flat angles C4'-P-C4' energy: -177.199
flat angles P-C4'-P energy: -86.346
tors. eta vs tors. theta energy: -187.069
Dist. restrs. and SS energy: 2.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -2308.536241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.536241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.607967 (E_RNA)
where:
Base-Base interactions energy: -1598.563
where: short stacking energy: -675.432
Base-Backbone interact. energy: 0.484
local terms energy: -713.528374
where:
bonds (distance) C4'-P energy: -122.351
bonds (distance) P-C4' energy: -141.459
flat angles C4'-P-C4' energy: -153.080
flat angles P-C4'-P energy: -109.557
tors. eta vs tors. theta energy: -187.082
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: 7, replica: 1
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -2256.627052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.627052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.964581 (E_RNA)
where:
Base-Base interactions energy: -1562.167
where: short stacking energy: -656.034
Base-Backbone interact. energy: 1.185
local terms energy: -698.983239
where:
bonds (distance) C4'-P energy: -116.019
bonds (distance) P-C4' energy: -138.224
flat angles C4'-P-C4' energy: -152.014
flat angles P-C4'-P energy: -106.984
tors. eta vs tors. theta energy: -185.743
Dist. restrs. and SS energy: 3.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -2022.193634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.193634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.188850 (E_RNA)
where:
Base-Base interactions energy: -1373.285
where: short stacking energy: -597.592
Base-Backbone interact. energy: -2.845
local terms energy: -648.058522
where:
bonds (distance) C4'-P energy: -115.533
bonds (distance) P-C4' energy: -134.856
flat angles C4'-P-C4' energy: -144.691
flat angles P-C4'-P energy: -97.666
tors. eta vs tors. theta energy: -155.313
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: 9, replica: 5
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -1940.870411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.870411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.878012 (E_RNA)
where:
Base-Base interactions energy: -1349.076
where: short stacking energy: -562.603
Base-Backbone interact. energy: 6.727
local terms energy: -600.529283
where:
bonds (distance) C4'-P energy: -123.812
bonds (distance) P-C4' energy: -135.290
flat angles C4'-P-C4' energy: -122.577
flat angles P-C4'-P energy: -88.967
tors. eta vs tors. theta energy: -129.883
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: 10, replica: 8
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -1842.742436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.742436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.868340 (E_RNA)
where:
Base-Base interactions energy: -1287.646
where: short stacking energy: -532.220
Base-Backbone interact. energy: -0.890
local terms energy: -558.332480
where:
bonds (distance) C4'-P energy: -124.226
bonds (distance) P-C4' energy: -124.146
flat angles C4'-P-C4' energy: -118.153
flat angles P-C4'-P energy: -57.715
tors. eta vs tors. theta energy: -134.092
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: 7
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -2927.667450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2927.667450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2929.582981 (E_RNA)
where:
Base-Base interactions energy: -2041.336
where: short stacking energy: -864.822
Base-Backbone interact. energy: -2.569
local terms energy: -885.677335
where:
bonds (distance) C4'-P energy: -162.295
bonds (distance) P-C4' energy: -159.302
flat angles C4'-P-C4' energy: -186.220
flat angles P-C4'-P energy: -125.283
tors. eta vs tors. theta energy: -252.577
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: 2, replica: 2
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -2869.654106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2869.654106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2871.099046 (E_RNA)
where:
Base-Base interactions energy: -1994.476
where: short stacking energy: -853.187
Base-Backbone interact. energy: -1.192
local terms energy: -875.430353
where:
bonds (distance) C4'-P energy: -157.380
bonds (distance) P-C4' energy: -159.991
flat angles C4'-P-C4' energy: -189.714
flat angles P-C4'-P energy: -116.066
tors. eta vs tors. theta energy: -252.280
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: 3, replica: 10
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -2687.565046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.565046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.694636 (E_RNA)
where:
Base-Base interactions energy: -1847.287
where: short stacking energy: -782.738
Base-Backbone interact. energy: 3.463
local terms energy: -844.870715
where:
bonds (distance) C4'-P energy: -140.433
bonds (distance) P-C4' energy: -172.392
flat angles C4'-P-C4' energy: -186.029
flat angles P-C4'-P energy: -116.205
tors. eta vs tors. theta energy: -229.811
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: 4, replica: 9
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -2589.069147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.069147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.578068 (E_RNA)
where:
Base-Base interactions energy: -1770.420
where: short stacking energy: -761.803
Base-Backbone interact. energy: -3.555
local terms energy: -817.603968
where:
bonds (distance) C4'-P energy: -146.807
bonds (distance) P-C4' energy: -155.005
flat angles C4'-P-C4' energy: -180.785
flat angles P-C4'-P energy: -108.588
tors. eta vs tors. theta energy: -226.419
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: 5, replica: 3
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -2418.425574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.425574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.818337 (E_RNA)
where:
Base-Base interactions energy: -1647.911
where: short stacking energy: -681.559
Base-Backbone interact. energy: -2.767
local terms energy: -770.140863
where:
bonds (distance) C4'-P energy: -152.329
bonds (distance) P-C4' energy: -150.772
flat angles C4'-P-C4' energy: -173.178
flat angles P-C4'-P energy: -101.308
tors. eta vs tors. theta energy: -192.554
Dist. restrs. and SS energy: 2.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -2305.999582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.999582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.655504 (E_RNA)
where:
Base-Base interactions energy: -1582.665
where: short stacking energy: -669.571
Base-Backbone interact. energy: 2.880
local terms energy: -728.869815
where:
bonds (distance) C4'-P energy: -165.356
bonds (distance) P-C4' energy: -144.554
flat angles C4'-P-C4' energy: -151.794
flat angles P-C4'-P energy: -90.721
tors. eta vs tors. theta energy: -176.446
Dist. restrs. and SS energy: 2.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -2230.300981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.300981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.909490 (E_RNA)
where:
Base-Base interactions energy: -1558.541
where: short stacking energy: -648.864
Base-Backbone interact. energy: -4.029
local terms energy: -670.340128
where:
bonds (distance) C4'-P energy: -123.403
bonds (distance) P-C4' energy: -126.839
flat angles C4'-P-C4' energy: -150.235
flat angles P-C4'-P energy: -98.073
tors. eta vs tors. theta energy: -171.789
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: 8, replica: 4
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -1969.696911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.696911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.271961 (E_RNA)
where:
Base-Base interactions energy: -1355.150
where: short stacking energy: -576.643
Base-Backbone interact. energy: -3.086
local terms energy: -613.036770
where:
bonds (distance) C4'-P energy: -108.095
bonds (distance) P-C4' energy: -136.328
flat angles C4'-P-C4' energy: -133.095
flat angles P-C4'-P energy: -90.052
tors. eta vs tors. theta energy: -145.468
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: 9, replica: 5
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -1921.418709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.418709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.955962 (E_RNA)
where:
Base-Base interactions energy: -1308.990
where: short stacking energy: -540.565
Base-Backbone interact. energy: 7.605
local terms energy: -623.571486
where:
bonds (distance) C4'-P energy: -126.755
bonds (distance) P-C4' energy: -130.653
flat angles C4'-P-C4' energy: -140.475
flat angles P-C4'-P energy: -91.285
tors. eta vs tors. theta energy: -134.404
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: 10, replica: 8
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -1856.175859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.175859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.179171 (E_RNA)
where:
Base-Base interactions energy: -1245.069
where: short stacking energy: -545.412
Base-Backbone interact. energy: -1.240
local terms energy: -616.870163
where:
bonds (distance) C4'-P energy: -109.662
bonds (distance) P-C4' energy: -146.800
flat angles C4'-P-C4' energy: -142.814
flat angles P-C4'-P energy: -75.972
tors. eta vs tors. theta energy: -141.622
Dist. restrs. and SS energy: 7.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 7 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 134544947
moves confirmed later: 148086174
all moves confirmed: 282631121
percent of confirmed moves: 35.328890
current total energy: -2812.047662
recalc. total energy: -2812.047662
replica 2 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 136030851
moves confirmed later: 149489095
all moves confirmed: 285519946
percent of confirmed moves: 35.689993
current total energy: -2723.662654
recalc. total energy: -2723.662654
replica 10 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 140131784
moves confirmed later: 155098177
all moves confirmed: 295229961
percent of confirmed moves: 36.903745
current total energy: -2594.323616
recalc. total energy: -2594.323616
replica 9 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 126785933
moves confirmed later: 137094314
all moves confirmed: 263880247
percent of confirmed moves: 32.985031
current total energy: -2406.372666
recalc. total energy: -2406.372666
replica 3 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 172359928
moves confirmed later: 198704059
all moves confirmed: 371063987
percent of confirmed moves: 46.382998
current total energy: -2242.303945
recalc. total energy: -2242.303945
replica 6 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 172505771
moves confirmed later: 198948817
all moves confirmed: 371454588
percent of confirmed moves: 46.431824
current total energy: -2112.136032
recalc. total energy: -2112.136032
replica 1 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 167392762
moves confirmed later: 192174187
all moves confirmed: 359566949
percent of confirmed moves: 44.945869
current total energy: -2087.651673
recalc. total energy: -2087.651673
replica 4 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 163627768
moves confirmed later: 186661029
all moves confirmed: 350288797
percent of confirmed moves: 43.786100
current total energy: -1868.784523
recalc. total energy: -1868.784523
replica 8 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 186182865
moves confirmed later: 217639234
all moves confirmed: 403822099
percent of confirmed moves: 50.477762
current total energy: -1675.834179
recalc. total energy: -1675.834179
replica 5 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 189414718
moves confirmed later: 222227941
all moves confirmed: 411642659
percent of confirmed moves: 51.455332
current total energy: -1671.609735
recalc. total energy: -1671.609735
out arg RESULTS//1/professor-b637b3a0_01
Time of doing 8000000 iterations: 65207.503 seconds